=>> Init data Presuming executables of amber suite to be in /home/amber9/exe =>> Reading input parameters Found PREFIX => snapshot Found PATH => ./ Found COMPLEX => 1 Found RECEPTOR => 1 Found LIGAND => 1 Found COMPT => ./egf-egfr.prmtop Found RECPT => ./egfr.prmtop Found LIGPT => ./egf.prmtop Found GC => 0 Found AS => 0 Found DC => 0 Found MM => 1 Found GB => 1 Found PB => 1 Found MS => 1 Found NM => 0 Found PROC => 2 Found REFE => 0 Found INDI => 1.0 Found EXDI => 80.0 Found SCALE => 1 Found LINIT => 1000 Found PRBRAD => 1.4 Found ISTRNG => 0.0 Found RADIOPT => 0 Found NPOPT => 1 Found CAVITY_SURFTEN => 0.0072 Found CAVITY_OFFSET => 0.00 Found SURFTEN => 0.0072 Found SURFOFF => 0.00 Found DIELC => 1.0 Found IGB => 2 Found GBSA => 1 Found SALTCON => 0.00 Found EXTDIEL => 80.0 Found INTDIEL => 1.0 Found SURFTEN => 0.0072 Found SURFOFF => 0.00 Found PROBE => 0.0 =>> Checking sanity Checking GENERAL Checking MM Checking PB Checking GB Checking MS =>> Creating input Sander input PBSA input =>> Calculating energy / entropy contributions Calc contrib for ./snapshot_com.crd.1 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.2 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.3 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.4 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.5 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.6 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.7 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.8 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.9 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.10 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.11 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.12 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.13 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.14 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.15 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.16 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.17 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.18 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.19 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.20 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.21 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.22 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.23 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.24 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.25 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.26 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.27 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.28 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.29 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.30 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.31 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.32 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.33 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.34 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.35 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.36 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.37 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.38 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.39 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.40 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.41 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.42 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.43 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.44 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.45 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.46 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.47 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.48 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.49 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.50 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.51 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.52 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.53 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.54 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.55 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.56 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.57 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.58 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.59 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.60 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.61 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.62 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.63 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.64 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.65 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.66 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.67 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.68 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.69 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.70 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.71 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.72 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.73 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.74 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.75 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.76 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.77 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.78 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.79 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.80 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.81 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.82 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.83 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.84 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.85 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.86 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.87 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.88 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.89 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.90 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.91 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.92 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.93 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.94 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.95 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.96 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.97 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.98 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.99 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_com.crd.100 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.1 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.2 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.3 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.4 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.5 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.6 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.7 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.8 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.9 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.10 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.11 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.12 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.13 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.14 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.15 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.16 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.17 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.18 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.19 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.20 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.21 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.22 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.23 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.24 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.25 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.26 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.27 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.28 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.29 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.30 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.31 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.32 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.33 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.34 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.35 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.36 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.37 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.38 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.39 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.40 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.41 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.42 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.43 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.44 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.45 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.46 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.47 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.48 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.49 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.50 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.51 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.52 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.53 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.54 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.55 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.56 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.57 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.58 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.59 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.60 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.61 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.62 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.63 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.64 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.65 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.66 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.67 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.68 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.69 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.70 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.71 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.72 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.73 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.74 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.75 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.76 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.77 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.78 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.79 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.80 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.81 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.82 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.83 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.84 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.85 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.86 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.87 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.88 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.89 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.90 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.91 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.92 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.93 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.94 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.95 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.96 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.97 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.98 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.99 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_rec.crd.100 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.1 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.2 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.3 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.4 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.5 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.6 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.7 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.8 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.9 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.10 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.11 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.12 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.13 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.14 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.15 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.16 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.17 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.18 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.19 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.20 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.21 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.22 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.23 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.24 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.25 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.26 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.27 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.28 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.29 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.30 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.31 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.32 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.33 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.34 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.35 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.36 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.37 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.38 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.39 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.40 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.41 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.42 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.43 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.44 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.45 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.46 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.47 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.48 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.49 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.50 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.51 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.52 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.53 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.54 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.55 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.56 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.57 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.58 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.59 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.60 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.61 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.62 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.63 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.64 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.65 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.66 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.67 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.68 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.69 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.70 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.71 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.72 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.73 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.74 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.75 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.76 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.77 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.78 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.79 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.80 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.81 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.82 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.83 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.84 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.85 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.86 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.87 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.88 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.89 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.90 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.91 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.92 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.93 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.94 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.95 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.96 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.97 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.98 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.99 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS Calc contrib for ./snapshot_lig.crd.100 Calc MM/GB/SAS Generate PDB Center PDB Calc PBSA Generate PQR Calc MS =>> Doing statistics =>> Values of global variables TEMP = 300 R = 8.314 gammaP = 0.0072 betaP = 0.00 gammaG = 0.0072 betaG = 0.00 =>> Reading input =>> Reordering files Final order: 1. snapshot_com.all.out: - 2. snapshot_rec.all.out: - 3. snapshot_lig.all.out: - =>> Reading files Reading snapshot_com.all.out WARNING: Missing ELE14 for MM in 1 -> Taken from 0 WARNING: Missing VDW14 for MM in 1 -> Taken from 0 WARNING: Missing ELE14 for MM in 2 -> Taken from 1 WARNING: Missing VDW14 for MM in 2 -> Taken from 1 WARNING: Missing PBCAV for PB in 2 -> Taken from 1 WARNING: Missing SURF for MS in 2 -> Taken from 1 WARNING: Missing ELE14 for MM in 3 -> Taken from 2 WARNING: Missing VDW14 for MM in 3 -> Taken from 2 WARNING: Missing PBCAV for PB in 3 -> Taken from 2 WARNING: Missing SURF for MS in 3 -> Taken from 2 WARNING: Missing ELE14 for MM in 4 -> Taken from 3 WARNING: Missing VDW14 for MM in 4 -> Taken from 3 WARNING: Missing ANGLE for MM in 5 -> Taken from 4 WARNING: Missing ELE14 for MM in 6 -> Taken from 5 WARNING: Missing ELENB for MM in 6 -> Taken from 5 WARNING: Missing VDWNB for MM in 6 -> Taken from 5 WARNING: Missing ANGLE for MM in 6 -> Taken from 5 WARNING: Missing VDW14 for MM in 6 -> Taken from 5 WARNING: Missing BOND for MM in 7 -> Taken from 6 WARNING: Missing ELE14 for MM in 7 -> Taken from 6 WARNING: Missing VDW14 for MM in 7 -> Taken from 6 WARNING: Missing PBCAV for PB in 7 -> Taken from 6 WARNING: Missing PBDIS for PB in 7 -> Taken from 6 WARNING: Missing SURF for MS in 7 -> Taken from 6 WARNING: Missing ELE14 for MM in 8 -> Taken from 7 WARNING: Missing ELENB for MM in 8 -> Taken from 7 WARNING: Missing VDWNB for MM in 8 -> Taken from 7 WARNING: Missing ANGLE for MM in 8 -> Taken from 7 WARNING: Missing VDW14 for MM in 8 -> Taken from 7 WARNING: Missing ELENB for MM in 9 -> Taken from 8 WARNING: Missing VDWNB for MM in 9 -> Taken from 8 WARNING: Missing PBCAV for PB in 9 -> Taken from 8 WARNING: Missing PBDIS for PB in 9 -> Taken from 8 WARNING: Missing SURF for MS in 9 -> Taken from 8 WARNING: Missing BOND for MM in 10 -> Taken from 9 WARNING: Missing ELE14 for MM in 10 -> Taken from 9 WARNING: Missing VDW14 for MM in 10 -> Taken from 9 WARNING: Missing BOND for MM in 11 -> Taken from 10 WARNING: Missing BOND for MM in 12 -> Taken from 11 WARNING: Missing ELENB for MM in 12 -> Taken from 11 WARNING: Missing VDWNB for MM in 12 -> Taken from 11 WARNING: Missing ANGLE for MM in 12 -> Taken from 11 WARNING: Missing BOND for MM in 13 -> Taken from 12 WARNING: Missing ELE14 for MM in 13 -> Taken from 12 WARNING: Missing VDW14 for MM in 13 -> Taken from 12 WARNING: Missing PB for PB in 13 -> Taken from 12 WARNING: Missing PBCAV for PB in 13 -> Taken from 12 WARNING: Missing PBDIS for PB in 13 -> Taken from 12 WARNING: Missing SURF for MS in 13 -> Taken from 12 WARNING: Missing BOND for MM in 14 -> Taken from 13 WARNING: Missing ELENB for MM in 14 -> Taken from 13 WARNING: Missing VDWNB for MM in 14 -> Taken from 13 WARNING: Missing BOND for MM in 15 -> Taken from 14 WARNING: Missing ANGLE for MM in 15 -> Taken from 14 WARNING: Missing BOND for MM in 16 -> Taken from 15 WARNING: Missing ELE14 for MM in 16 -> Taken from 15 WARNING: Missing VDW14 for MM in 16 -> Taken from 15 WARNING: Missing BOND for MM in 17 -> Taken from 16 WARNING: Missing ELE14 for MM in 17 -> Taken from 16 WARNING: Missing ELENB for MM in 17 -> Taken from 16 WARNING: Missing VDWNB for MM in 17 -> Taken from 16 WARNING: Missing ANGLE for MM in 17 -> Taken from 16 WARNING: Missing VDW14 for MM in 17 -> Taken from 16 WARNING: Missing BOND for MM in 18 -> Taken from 17 WARNING: Missing ELE14 for MM in 18 -> Taken from 17 WARNING: Missing VDW14 for MM in 18 -> Taken from 17 WARNING: Missing BOND for MM in 19 -> Taken from 18 WARNING: Missing ELENB for MM in 19 -> Taken from 18 WARNING: Missing VDWNB for MM in 19 -> Taken from 18 WARNING: Missing ANGLE for MM in 19 -> Taken from 18 WARNING: Missing BOND for MM in 20 -> Taken from 19 WARNING: Missing BOND for MM in 21 -> Taken from 20 WARNING: Missing ELE14 for MM in 21 -> Taken from 20 WARNING: Missing VDW14 for MM in 21 -> Taken from 20 WARNING: Missing PBCAV for PB in 21 -> Taken from 20 WARNING: Missing PBDIS for PB in 21 -> Taken from 20 WARNING: Missing SURF for MS in 21 -> Taken from 20 WARNING: Missing BOND for MM in 22 -> Taken from 21 WARNING: Missing ELENB for MM in 22 -> Taken from 21 WARNING: Missing VDWNB for MM in 22 -> Taken from 21 WARNING: Missing BOND for MM in 23 -> Taken from 22 WARNING: Missing ANGLE for MM in 23 -> Taken from 22 WARNING: Missing PBCAV for PB in 23 -> Taken from 22 WARNING: Missing SURF for MS in 23 -> Taken from 22 WARNING: Missing BOND for MM in 24 -> Taken from 23 WARNING: Missing ELENB for MM in 24 -> Taken from 23 WARNING: Missing VDWNB for MM in 24 -> Taken from 23 WARNING: Missing ANGLE for MM in 24 -> Taken from 23 WARNING: Missing BOND for MM in 25 -> Taken from 24 WARNING: Missing VDWNB for MM in 25 -> Taken from 24 WARNING: Missing BOND for MM in 26 -> Taken from 25 WARNING: Missing ELE14 for MM in 26 -> Taken from 25 WARNING: Missing VDW14 for MM in 26 -> Taken from 25 WARNING: Missing PBCAV for PB in 26 -> Taken from 25 WARNING: Missing SURF for MS in 26 -> Taken from 25 WARNING: Missing BOND for MM in 27 -> Taken from 26 WARNING: Missing ELE14 for MM in 27 -> Taken from 26 WARNING: Missing ELENB for MM in 27 -> Taken from 26 WARNING: Missing VDWNB for MM in 27 -> Taken from 26 WARNING: Missing ANGLE for MM in 27 -> Taken from 26 WARNING: Missing VDW14 for MM in 27 -> Taken from 26 WARNING: Missing BOND for MM in 28 -> Taken from 27 WARNING: Missing ELENB for MM in 28 -> Taken from 27 WARNING: Missing VDWNB for MM in 28 -> Taken from 27 WARNING: Missing ANGLE for MM in 28 -> Taken from 27 WARNING: Missing BOND for MM in 29 -> Taken from 28 WARNING: Missing ELE14 for MM in 29 -> Taken from 28 WARNING: Missing ANGLE for MM in 29 -> Taken from 28 WARNING: Missing VDW14 for MM in 29 -> Taken from 28 WARNING: Missing PBCAV for PB in 29 -> Taken from 28 WARNING: Missing SURF for MS in 29 -> Taken from 28 WARNING: Missing BOND for MM in 30 -> Taken from 29 WARNING: Missing ELENB for MM in 30 -> Taken from 29 WARNING: Missing VDWNB for MM in 30 -> Taken from 29 WARNING: Missing ANGLE for MM in 30 -> Taken from 29 WARNING: Missing BOND for MM in 31 -> Taken from 30 WARNING: Missing ANGLE for MM in 31 -> Taken from 30 WARNING: Missing BOND for MM in 32 -> Taken from 31 WARNING: Missing BOND for MM in 33 -> Taken from 32 WARNING: Missing BOND for MM in 34 -> Taken from 33 WARNING: Missing ELE14 for MM in 34 -> Taken from 33 WARNING: Missing ELENB for MM in 34 -> Taken from 33 WARNING: Missing VDWNB for MM in 34 -> Taken from 33 WARNING: Missing ANGLE for MM in 34 -> Taken from 33 WARNING: Missing VDW14 for MM in 34 -> Taken from 33 WARNING: Missing BOND for MM in 35 -> Taken from 34 WARNING: Missing ELE14 for MM in 35 -> Taken from 34 WARNING: Missing VDW14 for MM in 35 -> Taken from 34 WARNING: Missing BOND for MM in 36 -> Taken from 35 WARNING: Missing ELE14 for MM in 36 -> Taken from 35 WARNING: Missing ELENB for MM in 36 -> Taken from 35 WARNING: Missing VDWNB for MM in 36 -> Taken from 35 WARNING: Missing ANGLE for MM in 36 -> Taken from 35 WARNING: Missing VDW14 for MM in 36 -> Taken from 35 WARNING: Missing BOND for MM in 37 -> Taken from 36 WARNING: Missing ELE14 for MM in 37 -> Taken from 36 WARNING: Missing VDWNB for MM in 37 -> Taken from 36 WARNING: Missing VDW14 for MM in 37 -> Taken from 36 WARNING: Missing BOND for MM in 38 -> Taken from 37 WARNING: Missing ELENB for MM in 38 -> Taken from 37 WARNING: Missing VDWNB for MM in 38 -> Taken from 37 WARNING: Missing ANGLE for MM in 38 -> Taken from 37 WARNING: Missing PBCAV for PB in 38 -> Taken from 37 WARNING: Missing SURF for MS in 38 -> Taken from 37 WARNING: Missing BOND for MM in 39 -> Taken from 38 WARNING: Missing ANGLE for MM in 39 -> Taken from 38 WARNING: Missing BOND for MM in 40 -> Taken from 39 WARNING: Missing ELE14 for MM in 40 -> Taken from 39 WARNING: Missing VDW14 for MM in 40 -> Taken from 39 WARNING: Missing BOND for MM in 41 -> Taken from 40 WARNING: Missing ELENB for MM in 41 -> Taken from 40 WARNING: Missing VDWNB for MM in 41 -> Taken from 40 WARNING: Missing ANGLE for MM in 41 -> Taken from 40 WARNING: Missing BOND for MM in 42 -> Taken from 41 WARNING: Missing ANGLE for MM in 42 -> Taken from 41 WARNING: Missing PBCAV for PB in 42 -> Taken from 41 WARNING: Missing SURF for MS in 42 -> Taken from 41 WARNING: Missing BOND for MM in 43 -> Taken from 42 WARNING: Missing ELENB for MM in 43 -> Taken from 42 WARNING: Missing VDWNB for MM in 43 -> Taken from 42 WARNING: Missing ANGLE for MM in 43 -> Taken from 42 WARNING: Missing BOND for MM in 44 -> Taken from 43 WARNING: Missing ANGLE for MM in 44 -> Taken from 43 WARNING: Missing PBCAV for PB in 44 -> Taken from 43 WARNING: Missing PBDIS for PB in 44 -> Taken from 43 WARNING: Missing SURF for MS in 44 -> Taken from 43 WARNING: Missing BOND for MM in 45 -> Taken from 44 WARNING: Missing ELENB for MM in 45 -> Taken from 44 WARNING: Missing VDWNB for MM in 45 -> Taken from 44 WARNING: Missing PBCAV for PB in 45 -> Taken from 44 WARNING: Missing PBDIS for PB in 45 -> Taken from 44 WARNING: Missing SURF for MS in 45 -> Taken from 44 WARNING: Missing BOND for MM in 46 -> Taken from 45 WARNING: Missing ELE14 for MM in 46 -> Taken from 45 WARNING: Missing VDW14 for MM in 46 -> Taken from 45 WARNING: Missing BOND for MM in 47 -> Taken from 46 WARNING: Missing ELENB for MM in 47 -> Taken from 46 WARNING: Missing VDWNB for MM in 47 -> Taken from 46 WARNING: Missing BOND for MM in 48 -> Taken from 47 WARNING: Missing ELENB for MM in 48 -> Taken from 47 WARNING: Missing VDWNB for MM in 48 -> Taken from 47 WARNING: Missing BOND for MM in 49 -> Taken from 48 WARNING: Missing ELENB for MM in 49 -> Taken from 48 WARNING: Missing VDWNB for MM in 49 -> Taken from 48 WARNING: Missing BOND for MM in 50 -> Taken from 49 WARNING: Missing ELE14 for MM in 50 -> Taken from 49 WARNING: Missing ELENB for MM in 50 -> Taken from 49 WARNING: Missing VDWNB for MM in 50 -> Taken from 49 WARNING: Missing ANGLE for MM in 50 -> Taken from 49 WARNING: Missing VDW14 for MM in 50 -> Taken from 49 WARNING: Missing BOND for MM in 51 -> Taken from 50 WARNING: Missing BOND for MM in 52 -> Taken from 51 WARNING: Missing ELE14 for MM in 52 -> Taken from 51 WARNING: Missing VDW14 for MM in 52 -> Taken from 51 WARNING: Missing PBCAV for PB in 52 -> Taken from 51 WARNING: Missing SURF for MS in 52 -> Taken from 51 WARNING: Missing BOND for MM in 53 -> Taken from 52 WARNING: Missing ELENB for MM in 53 -> Taken from 52 WARNING: Missing VDWNB for MM in 53 -> Taken from 52 WARNING: Missing ANGLE for MM in 53 -> Taken from 52 WARNING: Missing BOND for MM in 54 -> Taken from 53 WARNING: Missing ANGLE for MM in 54 -> Taken from 53 WARNING: Missing PBCAV for PB in 54 -> Taken from 53 WARNING: Missing SURF for MS in 54 -> Taken from 53 WARNING: Missing BOND for MM in 55 -> Taken from 54 WARNING: Missing PBCAV for PB in 55 -> Taken from 54 WARNING: Missing SURF for MS in 55 -> Taken from 54 WARNING: Missing BOND for MM in 56 -> Taken from 55 WARNING: Missing ELENB for MM in 56 -> Taken from 55 WARNING: Missing VDWNB for MM in 56 -> Taken from 55 WARNING: Missing BOND for MM in 57 -> Taken from 56 WARNING: Missing ELE14 for MM in 57 -> Taken from 56 WARNING: Missing ANGLE for MM in 57 -> Taken from 56 WARNING: Missing VDW14 for MM in 57 -> Taken from 56 WARNING: Missing PBCAV for PB in 57 -> Taken from 56 WARNING: Missing PBDIS for PB in 57 -> Taken from 56 WARNING: Missing SURF for MS in 57 -> Taken from 56 WARNING: Missing BOND for MM in 58 -> Taken from 57 WARNING: Missing VDWNB for MM in 58 -> Taken from 57 WARNING: Missing BOND for MM in 59 -> Taken from 58 WARNING: Missing ELE14 for MM in 59 -> Taken from 58 WARNING: Missing ELENB for MM in 59 -> Taken from 58 WARNING: Missing VDWNB for MM in 59 -> Taken from 58 WARNING: Missing ANGLE for MM in 59 -> Taken from 58 WARNING: Missing VDW14 for MM in 59 -> Taken from 58 WARNING: Missing BOND for MM in 60 -> Taken from 59 WARNING: Missing ELE14 for MM in 60 -> Taken from 59 WARNING: Missing VDW14 for MM in 60 -> Taken from 59 WARNING: Missing BOND for MM in 61 -> Taken from 60 WARNING: Missing ELE14 for MM in 61 -> Taken from 60 WARNING: Missing ANGLE for MM in 61 -> Taken from 60 WARNING: Missing VDW14 for MM in 61 -> Taken from 60 WARNING: Missing PBCAV for PB in 61 -> Taken from 60 WARNING: Missing SURF for MS in 61 -> Taken from 60 WARNING: Missing BOND for MM in 62 -> Taken from 61 WARNING: Missing BOND for MM in 63 -> Taken from 62 WARNING: Missing ELE14 for MM in 63 -> Taken from 62 WARNING: Missing ELENB for MM in 63 -> Taken from 62 WARNING: Missing VDWNB for MM in 63 -> Taken from 62 WARNING: Missing ANGLE for MM in 63 -> Taken from 62 WARNING: Missing VDW14 for MM in 63 -> Taken from 62 WARNING: Missing BOND for MM in 64 -> Taken from 63 WARNING: Missing ELE14 for MM in 64 -> Taken from 63 WARNING: Missing ELENB for MM in 64 -> Taken from 63 WARNING: Missing VDWNB for MM in 64 -> Taken from 63 WARNING: Missing ANGLE for MM in 64 -> Taken from 63 WARNING: Missing VDW14 for MM in 64 -> Taken from 63 WARNING: Missing BOND for MM in 65 -> Taken from 64 WARNING: Missing ELENB for MM in 65 -> Taken from 64 WARNING: Missing VDWNB for MM in 65 -> Taken from 64 WARNING: Missing BOND for MM in 66 -> Taken from 65 WARNING: Missing ELE14 for MM in 66 -> Taken from 65 WARNING: Missing VDWNB for MM in 66 -> Taken from 65 WARNING: Missing ANGLE for MM in 66 -> Taken from 65 WARNING: Missing VDW14 for MM in 66 -> Taken from 65 WARNING: Missing PBCAV for PB in 66 -> Taken from 65 WARNING: Missing SURF for MS in 66 -> Taken from 65 WARNING: Missing BOND for MM in 67 -> Taken from 66 WARNING: Missing ELENB for MM in 67 -> Taken from 66 WARNING: Missing VDWNB for MM in 67 -> Taken from 66 WARNING: Missing ANGLE for MM in 67 -> Taken from 66 WARNING: Missing BOND for MM in 68 -> Taken from 67 WARNING: Missing ELE14 for MM in 68 -> Taken from 67 WARNING: Missing ELENB for MM in 68 -> Taken from 67 WARNING: Missing VDWNB for MM in 68 -> Taken from 67 WARNING: Missing ANGLE for MM in 68 -> Taken from 67 WARNING: Missing VDW14 for MM in 68 -> Taken from 67 WARNING: Missing BOND for MM in 69 -> Taken from 68 WARNING: Missing ELE14 for MM in 69 -> Taken from 68 WARNING: Missing VDW14 for MM in 69 -> Taken from 68 WARNING: Missing BOND for MM in 70 -> Taken from 69 WARNING: Missing ELE14 for MM in 70 -> Taken from 69 WARNING: Missing VDW14 for MM in 70 -> Taken from 69 WARNING: Missing BOND for MM in 71 -> Taken from 70 WARNING: Missing VDWNB for MM in 71 -> Taken from 70 WARNING: Missing PB for PB in 71 -> Taken from 70 WARNING: Missing PBCAV for PB in 71 -> Taken from 70 WARNING: Missing PBDIS for PB in 71 -> Taken from 70 WARNING: Missing SURF for MS in 71 -> Taken from 70 WARNING: Missing BOND for MM in 72 -> Taken from 71 WARNING: Missing ELENB for MM in 72 -> Taken from 71 WARNING: Missing VDWNB for MM in 72 -> Taken from 71 WARNING: Missing BOND for MM in 73 -> Taken from 72 WARNING: Missing ELE14 for MM in 73 -> Taken from 72 WARNING: Missing VDWNB for MM in 73 -> Taken from 72 WARNING: Missing VDW14 for MM in 73 -> Taken from 72 WARNING: Missing BOND for MM in 74 -> Taken from 73 WARNING: Missing ELE14 for MM in 74 -> Taken from 73 WARNING: Missing ELENB for MM in 74 -> Taken from 73 WARNING: Missing VDWNB for MM in 74 -> Taken from 73 WARNING: Missing ANGLE for MM in 74 -> Taken from 73 WARNING: Missing VDW14 for MM in 74 -> Taken from 73 WARNING: Missing BOND for MM in 75 -> Taken from 74 WARNING: Missing ELE14 for MM in 75 -> Taken from 74 WARNING: Missing VDW14 for MM in 75 -> Taken from 74 WARNING: Missing BOND for MM in 76 -> Taken from 75 WARNING: Missing ELENB for MM in 76 -> Taken from 75 WARNING: Missing VDWNB for MM in 76 -> Taken from 75 WARNING: Missing ANGLE for MM in 76 -> Taken from 75 WARNING: Missing BOND for MM in 77 -> Taken from 76 WARNING: Missing ELE14 for MM in 77 -> Taken from 76 WARNING: Missing VDWNB for MM in 77 -> Taken from 76 WARNING: Missing VDW14 for MM in 77 -> Taken from 76 WARNING: Missing BOND for MM in 78 -> Taken from 77 WARNING: Missing ELE14 for MM in 78 -> Taken from 77 WARNING: Missing ELENB for MM in 78 -> Taken from 77 WARNING: Missing VDWNB for MM in 78 -> Taken from 77 WARNING: Missing ANGLE for MM in 78 -> Taken from 77 WARNING: Missing VDW14 for MM in 78 -> Taken from 77 WARNING: Missing BOND for MM in 79 -> Taken from 78 WARNING: Missing ELE14 for MM in 79 -> Taken from 78 WARNING: Missing ELENB for MM in 79 -> Taken from 78 WARNING: Missing VDWNB for MM in 79 -> Taken from 78 WARNING: Missing VDW14 for MM in 79 -> Taken from 78 WARNING: Missing BOND for MM in 80 -> Taken from 79 WARNING: Missing VDWNB for MM in 80 -> Taken from 79 WARNING: Missing BOND for MM in 81 -> Taken from 80 WARNING: Missing ELE14 for MM in 81 -> Taken from 80 WARNING: Missing VDW14 for MM in 81 -> Taken from 80 WARNING: Missing PBCAV for PB in 81 -> Taken from 80 WARNING: Missing PBDIS for PB in 81 -> Taken from 80 WARNING: Missing SURF for MS in 81 -> Taken from 80 WARNING: Missing BOND for MM in 82 -> Taken from 81 WARNING: Missing ELE14 for MM in 82 -> Taken from 81 WARNING: Missing VDWNB for MM in 82 -> Taken from 81 WARNING: Missing VDW14 for MM in 82 -> Taken from 81 WARNING: Missing PBCAV for PB in 82 -> Taken from 81 WARNING: Missing PBDIS for PB in 82 -> Taken from 81 WARNING: Missing SURF for MS in 82 -> Taken from 81 WARNING: Missing BOND for MM in 83 -> Taken from 82 WARNING: Missing ELE14 for MM in 83 -> Taken from 82 WARNING: Missing ELENB for MM in 83 -> Taken from 82 WARNING: Missing VDWNB for MM in 83 -> Taken from 82 WARNING: Missing ANGLE for MM in 83 -> Taken from 82 WARNING: Missing VDW14 for MM in 83 -> Taken from 82 WARNING: Missing BOND for MM in 84 -> Taken from 83 WARNING: Missing ELE14 for MM in 84 -> Taken from 83 WARNING: Missing VDWNB for MM in 84 -> Taken from 83 WARNING: Missing VDW14 for MM in 84 -> Taken from 83 WARNING: Missing PB for PB in 84 -> Taken from 83 WARNING: Missing PBCAV for PB in 84 -> Taken from 83 WARNING: Missing SURF for MS in 84 -> Taken from 83 WARNING: Missing BOND for MM in 85 -> Taken from 84 WARNING: Missing ELE14 for MM in 85 -> Taken from 84 WARNING: Missing VDW14 for MM in 85 -> Taken from 84 WARNING: Missing PBCAV for PB in 85 -> Taken from 84 WARNING: Missing SURF for MS in 85 -> Taken from 84 WARNING: Missing BOND for MM in 86 -> Taken from 85 WARNING: Missing ELE14 for MM in 86 -> Taken from 85 WARNING: Missing VDWNB for MM in 86 -> Taken from 85 WARNING: Missing VDW14 for MM in 86 -> Taken from 85 WARNING: Missing PBCAV for PB in 86 -> Taken from 85 WARNING: Missing SURF for MS in 86 -> Taken from 85 WARNING: Missing BOND for MM in 87 -> Taken from 86 WARNING: Missing ELE14 for MM in 87 -> Taken from 86 WARNING: Missing VDW14 for MM in 87 -> Taken from 86 WARNING: Missing PBCAV for PB in 87 -> Taken from 86 WARNING: Missing PBDIS for PB in 87 -> Taken from 86 WARNING: Missing SURF for MS in 87 -> Taken from 86 WARNING: Missing BOND for MM in 88 -> Taken from 87 WARNING: Missing ELE14 for MM in 88 -> Taken from 87 WARNING: Missing ELENB for MM in 88 -> Taken from 87 WARNING: Missing VDWNB for MM in 88 -> Taken from 87 WARNING: Missing ANGLE for MM in 88 -> Taken from 87 WARNING: Missing VDW14 for MM in 88 -> Taken from 87 WARNING: Missing BOND for MM in 89 -> Taken from 88 WARNING: Missing ELE14 for MM in 89 -> Taken from 88 WARNING: Missing VDW14 for MM in 89 -> Taken from 88 WARNING: Missing BOND for MM in 90 -> Taken from 89 WARNING: Missing ELENB for MM in 90 -> Taken from 89 WARNING: Missing VDWNB for MM in 90 -> Taken from 89 WARNING: Missing ANGLE for MM in 90 -> Taken from 89 WARNING: Missing BOND for MM in 91 -> Taken from 90 WARNING: Missing ELE14 for MM in 91 -> Taken from 90 WARNING: Missing ELENB for MM in 91 -> Taken from 90 WARNING: Missing VDWNB for MM in 91 -> Taken from 90 WARNING: Missing ANGLE for MM in 91 -> Taken from 90 WARNING: Missing VDW14 for MM in 91 -> Taken from 90 WARNING: Missing BOND for MM in 92 -> Taken from 91 WARNING: Missing ELE14 for MM in 92 -> Taken from 91 WARNING: Missing ELENB for MM in 92 -> Taken from 91 WARNING: Missing VDWNB for MM in 92 -> Taken from 91 WARNING: Missing ANGLE for MM in 92 -> Taken from 91 WARNING: Missing VDW14 for MM in 92 -> Taken from 91 WARNING: Missing BOND for MM in 93 -> Taken from 92 WARNING: Missing ELENB for MM in 93 -> Taken from 92 WARNING: Missing VDWNB for MM in 93 -> Taken from 92 WARNING: Missing ANGLE for MM in 93 -> Taken from 92 WARNING: Missing PBCAV for PB in 93 -> Taken from 92 WARNING: Missing SURF for MS in 93 -> Taken from 92 WARNING: Missing BOND for MM in 94 -> Taken from 93 WARNING: Missing VDWNB for MM in 94 -> Taken from 93 WARNING: Missing ANGLE for MM in 94 -> Taken from 93 WARNING: Missing PBCAV for PB in 94 -> Taken from 93 WARNING: Missing SURF for MS in 94 -> Taken from 93 WARNING: Missing BOND for MM in 95 -> Taken from 94 WARNING: Missing ELENB for MM in 95 -> Taken from 94 WARNING: Missing VDWNB for MM in 95 -> Taken from 94 WARNING: Missing ANGLE for MM in 95 -> Taken from 94 WARNING: Missing BOND for MM in 96 -> Taken from 95 WARNING: Missing VDWNB for MM in 96 -> Taken from 95 WARNING: Missing ANGLE for MM in 96 -> Taken from 95 WARNING: Missing PBCAV for PB in 96 -> Taken from 95 WARNING: Missing SURF for MS in 96 -> Taken from 95 WARNING: Missing BOND for MM in 97 -> Taken from 96 WARNING: Missing VDWNB for MM in 97 -> Taken from 96 WARNING: Missing PBCAV for PB in 97 -> Taken from 96 WARNING: Missing SURF for MS in 97 -> Taken from 96 WARNING: Missing BOND for MM in 98 -> Taken from 97 WARNING: Missing ELENB for MM in 98 -> Taken from 97 WARNING: Missing VDWNB for MM in 98 -> Taken from 97 WARNING: Missing BOND for MM in 99 -> Taken from 98 WARNING: Missing ELENB for MM in 99 -> Taken from 98 WARNING: Missing VDWNB for MM in 99 -> Taken from 98 Reading snapshot_rec.all.out Checking CALC WARNING: Missing ELE14 for MM in 1 -> Taken from 0 WARNING: Missing VDW14 for MM in 1 -> Taken from 0 WARNING: Missing ELE14 for MM in 2 -> Taken from 1 WARNING: Missing VDW14 for MM in 2 -> Taken from 1 WARNING: Missing PBCAV for PB in 2 -> Taken from 1 WARNING: Missing SURF for MS in 2 -> Taken from 1 WARNING: Missing ELE14 for MM in 3 -> Taken from 2 WARNING: Missing VDW14 for MM in 3 -> Taken from 2 WARNING: Missing PBCAV for PB in 3 -> Taken from 2 WARNING: Missing SURF for MS in 3 -> Taken from 2 WARNING: Missing ELE14 for MM in 4 -> Taken from 3 WARNING: Missing VDW14 for MM in 4 -> Taken from 3 WARNING: Missing ANGLE for MM in 5 -> Taken from 4 WARNING: Missing ELE14 for MM in 6 -> Taken from 5 WARNING: Missing ELENB for MM in 6 -> Taken from 5 WARNING: Missing VDWNB for MM in 6 -> Taken from 5 WARNING: Missing ANGLE for MM in 6 -> Taken from 5 WARNING: Missing VDW14 for MM in 6 -> Taken from 5 WARNING: Missing BOND for MM in 7 -> Taken from 6 WARNING: Missing ELE14 for MM in 7 -> Taken from 6 WARNING: Missing VDW14 for MM in 7 -> Taken from 6 WARNING: Missing PBCAV for PB in 7 -> Taken from 6 WARNING: Missing PBDIS for PB in 7 -> Taken from 6 WARNING: Missing SURF for MS in 7 -> Taken from 6 WARNING: Missing ELE14 for MM in 8 -> Taken from 7 WARNING: Missing ELENB for MM in 8 -> Taken from 7 WARNING: Missing VDWNB for MM in 8 -> Taken from 7 WARNING: Missing ANGLE for MM in 8 -> Taken from 7 WARNING: Missing VDW14 for MM in 8 -> Taken from 7 WARNING: Missing ELENB for MM in 9 -> Taken from 8 WARNING: Missing VDWNB for MM in 9 -> Taken from 8 WARNING: Missing PBCAV for PB in 9 -> Taken from 8 WARNING: Missing PBDIS for PB in 9 -> Taken from 8 WARNING: Missing SURF for MS in 9 -> Taken from 8 WARNING: Missing BOND for MM in 10 -> Taken from 9 WARNING: Missing ELE14 for MM in 10 -> Taken from 9 WARNING: Missing VDW14 for MM in 10 -> Taken from 9 WARNING: Missing BOND for MM in 11 -> Taken from 10 WARNING: Missing BOND for MM in 12 -> Taken from 11 WARNING: Missing ELENB for MM in 12 -> Taken from 11 WARNING: Missing VDWNB for MM in 12 -> Taken from 11 WARNING: Missing ANGLE for MM in 12 -> Taken from 11 WARNING: Missing BOND for MM in 13 -> Taken from 12 WARNING: Missing ELE14 for MM in 13 -> Taken from 12 WARNING: Missing VDW14 for MM in 13 -> Taken from 12 WARNING: Missing PB for PB in 13 -> Taken from 12 WARNING: Missing PBCAV for PB in 13 -> Taken from 12 WARNING: Missing PBDIS for PB in 13 -> Taken from 12 WARNING: Missing SURF for MS in 13 -> Taken from 12 WARNING: Missing BOND for MM in 14 -> Taken from 13 WARNING: Missing ELENB for MM in 14 -> Taken from 13 WARNING: Missing VDWNB for MM in 14 -> Taken from 13 WARNING: Missing BOND for MM in 15 -> Taken from 14 WARNING: Missing ANGLE for MM in 15 -> Taken from 14 WARNING: Missing BOND for MM in 16 -> Taken from 15 WARNING: Missing ELE14 for MM in 16 -> Taken from 15 WARNING: Missing VDW14 for MM in 16 -> Taken from 15 WARNING: Missing BOND for MM in 17 -> Taken from 16 WARNING: Missing ELE14 for MM in 17 -> Taken from 16 WARNING: Missing ELENB for MM in 17 -> Taken from 16 WARNING: Missing VDWNB for MM in 17 -> Taken from 16 WARNING: Missing ANGLE for MM in 17 -> Taken from 16 WARNING: Missing VDW14 for MM in 17 -> Taken from 16 WARNING: Missing BOND for MM in 18 -> Taken from 17 WARNING: Missing ELE14 for MM in 18 -> Taken from 17 WARNING: Missing VDW14 for MM in 18 -> Taken from 17 WARNING: Missing BOND for MM in 19 -> Taken from 18 WARNING: Missing ELENB for MM in 19 -> Taken from 18 WARNING: Missing VDWNB for MM in 19 -> Taken from 18 WARNING: Missing ANGLE for MM in 19 -> Taken from 18 WARNING: Missing BOND for MM in 20 -> Taken from 19 WARNING: Missing BOND for MM in 21 -> Taken from 20 WARNING: Missing ELE14 for MM in 21 -> Taken from 20 WARNING: Missing VDW14 for MM in 21 -> Taken from 20 WARNING: Missing PBCAV for PB in 21 -> Taken from 20 WARNING: Missing PBDIS for PB in 21 -> Taken from 20 WARNING: Missing SURF for MS in 21 -> Taken from 20 WARNING: Missing BOND for MM in 22 -> Taken from 21 WARNING: Missing ELENB for MM in 22 -> Taken from 21 WARNING: Missing VDWNB for MM in 22 -> Taken from 21 WARNING: Missing BOND for MM in 23 -> Taken from 22 WARNING: Missing ANGLE for MM in 23 -> Taken from 22 WARNING: Missing PBCAV for PB in 23 -> Taken from 22 WARNING: Missing SURF for MS in 23 -> Taken from 22 WARNING: Missing BOND for MM in 24 -> Taken from 23 WARNING: Missing ELENB for MM in 24 -> Taken from 23 WARNING: Missing VDWNB for MM in 24 -> Taken from 23 WARNING: Missing ANGLE for MM in 24 -> Taken from 23 WARNING: Missing BOND for MM in 25 -> Taken from 24 WARNING: Missing VDWNB for MM in 25 -> Taken from 24 WARNING: Missing BOND for MM in 26 -> Taken from 25 WARNING: Missing ELE14 for MM in 26 -> Taken from 25 WARNING: Missing VDW14 for MM in 26 -> Taken from 25 WARNING: Missing PBCAV for PB in 26 -> Taken from 25 WARNING: Missing SURF for MS in 26 -> Taken from 25 WARNING: Missing BOND for MM in 27 -> Taken from 26 WARNING: Missing ELE14 for MM in 27 -> Taken from 26 WARNING: Missing ELENB for MM in 27 -> Taken from 26 WARNING: Missing VDWNB for MM in 27 -> Taken from 26 WARNING: Missing ANGLE for MM in 27 -> Taken from 26 WARNING: Missing VDW14 for MM in 27 -> Taken from 26 WARNING: Missing BOND for MM in 28 -> Taken from 27 WARNING: Missing ELENB for MM in 28 -> Taken from 27 WARNING: Missing VDWNB for MM in 28 -> Taken from 27 WARNING: Missing ANGLE for MM in 28 -> Taken from 27 WARNING: Missing BOND for MM in 29 -> Taken from 28 WARNING: Missing ELE14 for MM in 29 -> Taken from 28 WARNING: Missing ANGLE for MM in 29 -> Taken from 28 WARNING: Missing VDW14 for MM in 29 -> Taken from 28 WARNING: Missing PBCAV for PB in 29 -> Taken from 28 WARNING: Missing SURF for MS in 29 -> Taken from 28 WARNING: Missing BOND for MM in 30 -> Taken from 29 WARNING: Missing ELENB for MM in 30 -> Taken from 29 WARNING: Missing VDWNB for MM in 30 -> Taken from 29 WARNING: Missing ANGLE for MM in 30 -> Taken from 29 WARNING: Missing BOND for MM in 31 -> Taken from 30 WARNING: Missing ANGLE for MM in 31 -> Taken from 30 WARNING: Missing PBCAV for PB in 31 -> Taken from 30 WARNING: Missing SURF for MS in 31 -> Taken from 30 WARNING: Missing BOND for MM in 32 -> Taken from 31 WARNING: Missing BOND for MM in 33 -> Taken from 32 WARNING: Missing BOND for MM in 34 -> Taken from 33 WARNING: Missing ELE14 for MM in 34 -> Taken from 33 WARNING: Missing ELENB for MM in 34 -> Taken from 33 WARNING: Missing VDWNB for MM in 34 -> Taken from 33 WARNING: Missing ANGLE for MM in 34 -> Taken from 33 WARNING: Missing VDW14 for MM in 34 -> Taken from 33 WARNING: Missing BOND for MM in 35 -> Taken from 34 WARNING: Missing ELE14 for MM in 35 -> Taken from 34 WARNING: Missing VDW14 for MM in 35 -> Taken from 34 WARNING: Missing BOND for MM in 36 -> Taken from 35 WARNING: Missing ELE14 for MM in 36 -> Taken from 35 WARNING: Missing ELENB for MM in 36 -> Taken from 35 WARNING: Missing VDWNB for MM in 36 -> Taken from 35 WARNING: Missing ANGLE for MM in 36 -> Taken from 35 WARNING: Missing VDW14 for MM in 36 -> Taken from 35 WARNING: Missing BOND for MM in 37 -> Taken from 36 WARNING: Missing ELE14 for MM in 37 -> Taken from 36 WARNING: Missing VDWNB for MM in 37 -> Taken from 36 WARNING: Missing VDW14 for MM in 37 -> Taken from 36 WARNING: Missing BOND for MM in 38 -> Taken from 37 WARNING: Missing ELENB for MM in 38 -> Taken from 37 WARNING: Missing VDWNB for MM in 38 -> Taken from 37 WARNING: Missing ANGLE for MM in 38 -> Taken from 37 WARNING: Missing PBCAV for PB in 38 -> Taken from 37 WARNING: Missing PBDIS for PB in 38 -> Taken from 37 WARNING: Missing SURF for MS in 38 -> Taken from 37 WARNING: Missing BOND for MM in 39 -> Taken from 38 WARNING: Missing ANGLE for MM in 39 -> Taken from 38 WARNING: Missing BOND for MM in 40 -> Taken from 39 WARNING: Missing ELE14 for MM in 40 -> Taken from 39 WARNING: Missing VDW14 for MM in 40 -> Taken from 39 WARNING: Missing BOND for MM in 41 -> Taken from 40 WARNING: Missing ELENB for MM in 41 -> Taken from 40 WARNING: Missing VDWNB for MM in 41 -> Taken from 40 WARNING: Missing ANGLE for MM in 41 -> Taken from 40 WARNING: Missing PBCAV for PB in 41 -> Taken from 40 WARNING: Missing PBDIS for PB in 41 -> Taken from 40 WARNING: Missing SURF for MS in 41 -> Taken from 40 WARNING: Missing BOND for MM in 42 -> Taken from 41 WARNING: Missing ANGLE for MM in 42 -> Taken from 41 WARNING: Missing PBCAV for PB in 42 -> Taken from 41 WARNING: Missing SURF for MS in 42 -> Taken from 41 WARNING: Missing BOND for MM in 43 -> Taken from 42 WARNING: Missing ELENB for MM in 43 -> Taken from 42 WARNING: Missing VDWNB for MM in 43 -> Taken from 42 WARNING: Missing ANGLE for MM in 43 -> Taken from 42 WARNING: Missing BOND for MM in 44 -> Taken from 43 WARNING: Missing ANGLE for MM in 44 -> Taken from 43 WARNING: Missing PBCAV for PB in 44 -> Taken from 43 WARNING: Missing SURF for MS in 44 -> Taken from 43 WARNING: Missing BOND for MM in 45 -> Taken from 44 WARNING: Missing ELENB for MM in 45 -> Taken from 44 WARNING: Missing VDWNB for MM in 45 -> Taken from 44 WARNING: Missing PBCAV for PB in 45 -> Taken from 44 WARNING: Missing PBDIS for PB in 45 -> Taken from 44 WARNING: Missing SURF for MS in 45 -> Taken from 44 WARNING: Missing BOND for MM in 46 -> Taken from 45 WARNING: Missing ELE14 for MM in 46 -> Taken from 45 WARNING: Missing VDW14 for MM in 46 -> Taken from 45 WARNING: Missing BOND for MM in 47 -> Taken from 46 WARNING: Missing ELENB for MM in 47 -> Taken from 46 WARNING: Missing VDWNB for MM in 47 -> Taken from 46 WARNING: Missing BOND for MM in 48 -> Taken from 47 WARNING: Missing ELENB for MM in 48 -> Taken from 47 WARNING: Missing VDWNB for MM in 48 -> Taken from 47 WARNING: Missing BOND for MM in 49 -> Taken from 48 WARNING: Missing ELENB for MM in 49 -> Taken from 48 WARNING: Missing VDWNB for MM in 49 -> Taken from 48 WARNING: Missing BOND for MM in 50 -> Taken from 49 WARNING: Missing ELE14 for MM in 50 -> Taken from 49 WARNING: Missing ELENB for MM in 50 -> Taken from 49 WARNING: Missing VDWNB for MM in 50 -> Taken from 49 WARNING: Missing ANGLE for MM in 50 -> Taken from 49 WARNING: Missing VDW14 for MM in 50 -> Taken from 49 WARNING: Missing BOND for MM in 51 -> Taken from 50 WARNING: Missing BOND for MM in 52 -> Taken from 51 WARNING: Missing ELE14 for MM in 52 -> Taken from 51 WARNING: Missing VDW14 for MM in 52 -> Taken from 51 WARNING: Missing PBCAV for PB in 52 -> Taken from 51 WARNING: Missing SURF for MS in 52 -> Taken from 51 WARNING: Missing BOND for MM in 53 -> Taken from 52 WARNING: Missing ELENB for MM in 53 -> Taken from 52 WARNING: Missing VDWNB for MM in 53 -> Taken from 52 WARNING: Missing ANGLE for MM in 53 -> Taken from 52 WARNING: Missing BOND for MM in 54 -> Taken from 53 WARNING: Missing ANGLE for MM in 54 -> Taken from 53 WARNING: Missing PBCAV for PB in 54 -> Taken from 53 WARNING: Missing PBDIS for PB in 54 -> Taken from 53 WARNING: Missing SURF for MS in 54 -> Taken from 53 WARNING: Missing BOND for MM in 55 -> Taken from 54 WARNING: Missing PBCAV for PB in 55 -> Taken from 54 WARNING: Missing SURF for MS in 55 -> Taken from 54 WARNING: Missing BOND for MM in 56 -> Taken from 55 WARNING: Missing ELENB for MM in 56 -> Taken from 55 WARNING: Missing VDWNB for MM in 56 -> Taken from 55 WARNING: Missing BOND for MM in 57 -> Taken from 56 WARNING: Missing ELE14 for MM in 57 -> Taken from 56 WARNING: Missing ANGLE for MM in 57 -> Taken from 56 WARNING: Missing VDW14 for MM in 57 -> Taken from 56 WARNING: Missing PBCAV for PB in 57 -> Taken from 56 WARNING: Missing SURF for MS in 57 -> Taken from 56 WARNING: Missing BOND for MM in 58 -> Taken from 57 WARNING: Missing VDWNB for MM in 58 -> Taken from 57 WARNING: Missing BOND for MM in 59 -> Taken from 58 WARNING: Missing ELE14 for MM in 59 -> Taken from 58 WARNING: Missing ELENB for MM in 59 -> Taken from 58 WARNING: Missing VDWNB for MM in 59 -> Taken from 58 WARNING: Missing ANGLE for MM in 59 -> Taken from 58 WARNING: Missing VDW14 for MM in 59 -> Taken from 58 WARNING: Missing BOND for MM in 60 -> Taken from 59 WARNING: Missing ELE14 for MM in 60 -> Taken from 59 WARNING: Missing VDW14 for MM in 60 -> Taken from 59 WARNING: Missing BOND for MM in 61 -> Taken from 60 WARNING: Missing ELE14 for MM in 61 -> Taken from 60 WARNING: Missing ANGLE for MM in 61 -> Taken from 60 WARNING: Missing VDW14 for MM in 61 -> Taken from 60 WARNING: Missing PBCAV for PB in 61 -> Taken from 60 WARNING: Missing SURF for MS in 61 -> Taken from 60 WARNING: Missing BOND for MM in 62 -> Taken from 61 WARNING: Missing BOND for MM in 63 -> Taken from 62 WARNING: Missing ELE14 for MM in 63 -> Taken from 62 WARNING: Missing ELENB for MM in 63 -> Taken from 62 WARNING: Missing VDWNB for MM in 63 -> Taken from 62 WARNING: Missing ANGLE for MM in 63 -> Taken from 62 WARNING: Missing VDW14 for MM in 63 -> Taken from 62 WARNING: Missing BOND for MM in 64 -> Taken from 63 WARNING: Missing ELE14 for MM in 64 -> Taken from 63 WARNING: Missing ELENB for MM in 64 -> Taken from 63 WARNING: Missing VDWNB for MM in 64 -> Taken from 63 WARNING: Missing ANGLE for MM in 64 -> Taken from 63 WARNING: Missing VDW14 for MM in 64 -> Taken from 63 WARNING: Missing BOND for MM in 65 -> Taken from 64 WARNING: Missing ELENB for MM in 65 -> Taken from 64 WARNING: Missing VDWNB for MM in 65 -> Taken from 64 WARNING: Missing BOND for MM in 66 -> Taken from 65 WARNING: Missing ELE14 for MM in 66 -> Taken from 65 WARNING: Missing VDWNB for MM in 66 -> Taken from 65 WARNING: Missing ANGLE for MM in 66 -> Taken from 65 WARNING: Missing VDW14 for MM in 66 -> Taken from 65 WARNING: Missing PBCAV for PB in 66 -> Taken from 65 WARNING: Missing PBDIS for PB in 66 -> Taken from 65 WARNING: Missing SURF for MS in 66 -> Taken from 65 WARNING: Missing BOND for MM in 67 -> Taken from 66 WARNING: Missing ELENB for MM in 67 -> Taken from 66 WARNING: Missing VDWNB for MM in 67 -> Taken from 66 WARNING: Missing ANGLE for MM in 67 -> Taken from 66 WARNING: Missing BOND for MM in 68 -> Taken from 67 WARNING: Missing ELE14 for MM in 68 -> Taken from 67 WARNING: Missing ELENB for MM in 68 -> Taken from 67 WARNING: Missing VDWNB for MM in 68 -> Taken from 67 WARNING: Missing ANGLE for MM in 68 -> Taken from 67 WARNING: Missing VDW14 for MM in 68 -> Taken from 67 WARNING: Missing BOND for MM in 69 -> Taken from 68 WARNING: Missing ELE14 for MM in 69 -> Taken from 68 WARNING: Missing VDW14 for MM in 69 -> Taken from 68 WARNING: Missing BOND for MM in 70 -> Taken from 69 WARNING: Missing ELE14 for MM in 70 -> Taken from 69 WARNING: Missing VDW14 for MM in 70 -> Taken from 69 WARNING: Missing BOND for MM in 71 -> Taken from 70 WARNING: Missing VDWNB for MM in 71 -> Taken from 70 WARNING: Missing PB for PB in 71 -> Taken from 70 WARNING: Missing PBCAV for PB in 71 -> Taken from 70 WARNING: Missing PBDIS for PB in 71 -> Taken from 70 WARNING: Missing SURF for MS in 71 -> Taken from 70 WARNING: Missing BOND for MM in 72 -> Taken from 71 WARNING: Missing ELENB for MM in 72 -> Taken from 71 WARNING: Missing VDWNB for MM in 72 -> Taken from 71 WARNING: Missing BOND for MM in 73 -> Taken from 72 WARNING: Missing ELE14 for MM in 73 -> Taken from 72 WARNING: Missing VDWNB for MM in 73 -> Taken from 72 WARNING: Missing VDW14 for MM in 73 -> Taken from 72 WARNING: Missing BOND for MM in 74 -> Taken from 73 WARNING: Missing ELE14 for MM in 74 -> Taken from 73 WARNING: Missing ELENB for MM in 74 -> Taken from 73 WARNING: Missing VDWNB for MM in 74 -> Taken from 73 WARNING: Missing ANGLE for MM in 74 -> Taken from 73 WARNING: Missing VDW14 for MM in 74 -> Taken from 73 WARNING: Missing BOND for MM in 75 -> Taken from 74 WARNING: Missing ELE14 for MM in 75 -> Taken from 74 WARNING: Missing VDW14 for MM in 75 -> Taken from 74 WARNING: Missing BOND for MM in 76 -> Taken from 75 WARNING: Missing ELENB for MM in 76 -> Taken from 75 WARNING: Missing VDWNB for MM in 76 -> Taken from 75 WARNING: Missing ANGLE for MM in 76 -> Taken from 75 WARNING: Missing BOND for MM in 77 -> Taken from 76 WARNING: Missing ELE14 for MM in 77 -> Taken from 76 WARNING: Missing VDWNB for MM in 77 -> Taken from 76 WARNING: Missing VDW14 for MM in 77 -> Taken from 76 WARNING: Missing BOND for MM in 78 -> Taken from 77 WARNING: Missing ELE14 for MM in 78 -> Taken from 77 WARNING: Missing ELENB for MM in 78 -> Taken from 77 WARNING: Missing VDWNB for MM in 78 -> Taken from 77 WARNING: Missing ANGLE for MM in 78 -> Taken from 77 WARNING: Missing VDW14 for MM in 78 -> Taken from 77 WARNING: Missing BOND for MM in 79 -> Taken from 78 WARNING: Missing ELE14 for MM in 79 -> Taken from 78 WARNING: Missing ELENB for MM in 79 -> Taken from 78 WARNING: Missing VDWNB for MM in 79 -> Taken from 78 WARNING: Missing VDW14 for MM in 79 -> Taken from 78 WARNING: Missing BOND for MM in 80 -> Taken from 79 WARNING: Missing VDWNB for MM in 80 -> Taken from 79 WARNING: Missing BOND for MM in 81 -> Taken from 80 WARNING: Missing ELE14 for MM in 81 -> Taken from 80 WARNING: Missing VDW14 for MM in 81 -> Taken from 80 WARNING: Missing PBCAV for PB in 81 -> Taken from 80 WARNING: Missing PBDIS for PB in 81 -> Taken from 80 WARNING: Missing SURF for MS in 81 -> Taken from 80 WARNING: Missing BOND for MM in 82 -> Taken from 81 WARNING: Missing ELE14 for MM in 82 -> Taken from 81 WARNING: Missing VDWNB for MM in 82 -> Taken from 81 WARNING: Missing VDW14 for MM in 82 -> Taken from 81 WARNING: Missing PBCAV for PB in 82 -> Taken from 81 WARNING: Missing PBDIS for PB in 82 -> Taken from 81 WARNING: Missing SURF for MS in 82 -> Taken from 81 WARNING: Missing BOND for MM in 83 -> Taken from 82 WARNING: Missing ELE14 for MM in 83 -> Taken from 82 WARNING: Missing ELENB for MM in 83 -> Taken from 82 WARNING: Missing VDWNB for MM in 83 -> Taken from 82 WARNING: Missing ANGLE for MM in 83 -> Taken from 82 WARNING: Missing VDW14 for MM in 83 -> Taken from 82 WARNING: Missing BOND for MM in 84 -> Taken from 83 WARNING: Missing ELE14 for MM in 84 -> Taken from 83 WARNING: Missing VDWNB for MM in 84 -> Taken from 83 WARNING: Missing VDW14 for MM in 84 -> Taken from 83 WARNING: Missing PB for PB in 84 -> Taken from 83 WARNING: Missing PBCAV for PB in 84 -> Taken from 83 WARNING: Missing PBDIS for PB in 84 -> Taken from 83 WARNING: Missing SURF for MS in 84 -> Taken from 83 WARNING: Missing BOND for MM in 85 -> Taken from 84 WARNING: Missing ELE14 for MM in 85 -> Taken from 84 WARNING: Missing VDW14 for MM in 85 -> Taken from 84 WARNING: Missing PBCAV for PB in 85 -> Taken from 84 WARNING: Missing SURF for MS in 85 -> Taken from 84 WARNING: Missing BOND for MM in 86 -> Taken from 85 WARNING: Missing ELE14 for MM in 86 -> Taken from 85 WARNING: Missing VDWNB for MM in 86 -> Taken from 85 WARNING: Missing VDW14 for MM in 86 -> Taken from 85 WARNING: Missing PBCAV for PB in 86 -> Taken from 85 WARNING: Missing SURF for MS in 86 -> Taken from 85 WARNING: Missing BOND for MM in 87 -> Taken from 86 WARNING: Missing ELE14 for MM in 87 -> Taken from 86 WARNING: Missing VDW14 for MM in 87 -> Taken from 86 WARNING: Missing PBCAV for PB in 87 -> Taken from 86 WARNING: Missing PBDIS for PB in 87 -> Taken from 86 WARNING: Missing SURF for MS in 87 -> Taken from 86 WARNING: Missing BOND for MM in 88 -> Taken from 87 WARNING: Missing ELE14 for MM in 88 -> Taken from 87 WARNING: Missing ELENB for MM in 88 -> Taken from 87 WARNING: Missing VDWNB for MM in 88 -> Taken from 87 WARNING: Missing ANGLE for MM in 88 -> Taken from 87 WARNING: Missing VDW14 for MM in 88 -> Taken from 87 WARNING: Missing BOND for MM in 89 -> Taken from 88 WARNING: Missing ELE14 for MM in 89 -> Taken from 88 WARNING: Missing VDW14 for MM in 89 -> Taken from 88 WARNING: Missing BOND for MM in 90 -> Taken from 89 WARNING: Missing ELENB for MM in 90 -> Taken from 89 WARNING: Missing VDWNB for MM in 90 -> Taken from 89 WARNING: Missing ANGLE for MM in 90 -> Taken from 89 WARNING: Missing BOND for MM in 91 -> Taken from 90 WARNING: Missing ELE14 for MM in 91 -> Taken from 90 WARNING: Missing ELENB for MM in 91 -> Taken from 90 WARNING: Missing VDWNB for MM in 91 -> Taken from 90 WARNING: Missing ANGLE for MM in 91 -> Taken from 90 WARNING: Missing VDW14 for MM in 91 -> Taken from 90 WARNING: Missing BOND for MM in 92 -> Taken from 91 WARNING: Missing ELE14 for MM in 92 -> Taken from 91 WARNING: Missing ELENB for MM in 92 -> Taken from 91 WARNING: Missing VDWNB for MM in 92 -> Taken from 91 WARNING: Missing ANGLE for MM in 92 -> Taken from 91 WARNING: Missing VDW14 for MM in 92 -> Taken from 91 WARNING: Missing BOND for MM in 93 -> Taken from 92 WARNING: Missing ELENB for MM in 93 -> Taken from 92 WARNING: Missing VDWNB for MM in 93 -> Taken from 92 WARNING: Missing ANGLE for MM in 93 -> Taken from 92 WARNING: Missing PBCAV for PB in 93 -> Taken from 92 WARNING: Missing SURF for MS in 93 -> Taken from 92 WARNING: Missing BOND for MM in 94 -> Taken from 93 WARNING: Missing VDWNB for MM in 94 -> Taken from 93 WARNING: Missing ANGLE for MM in 94 -> Taken from 93 WARNING: Missing PBCAV for PB in 94 -> Taken from 93 WARNING: Missing SURF for MS in 94 -> Taken from 93 WARNING: Missing BOND for MM in 95 -> Taken from 94 WARNING: Missing ELENB for MM in 95 -> Taken from 94 WARNING: Missing VDWNB for MM in 95 -> Taken from 94 WARNING: Missing ANGLE for MM in 95 -> Taken from 94 WARNING: Missing BOND for MM in 96 -> Taken from 95 WARNING: Missing VDWNB for MM in 96 -> Taken from 95 WARNING: Missing ANGLE for MM in 96 -> Taken from 95 WARNING: Missing PBCAV for PB in 96 -> Taken from 95 WARNING: Missing SURF for MS in 96 -> Taken from 95 WARNING: Missing BOND for MM in 97 -> Taken from 96 WARNING: Missing VDWNB for MM in 97 -> Taken from 96 WARNING: Missing PBCAV for PB in 97 -> Taken from 96 WARNING: Missing SURF for MS in 97 -> Taken from 96 WARNING: Missing BOND for MM in 98 -> Taken from 97 WARNING: Missing ELENB for MM in 98 -> Taken from 97 WARNING: Missing VDWNB for MM in 98 -> Taken from 97 WARNING: Missing BOND for MM in 99 -> Taken from 98 WARNING: Missing ELENB for MM in 99 -> Taken from 98 WARNING: Missing VDWNB for MM in 99 -> Taken from 98 Reading snapshot_lig.all.out Checking CALC =>> Treat special parameters =>> Calc missing parameters Processing MM GAS Doing 1 MM ELE No values for MM_ELE existing -> Skipping Processing MM INT Doing 1 MM BOND Doing 1 MM ANGLE Doing 1 MM DIHED Doing 1 MM BOND Doing 1 MM ANGLE Doing 1 MM DIHED Doing 1 MM BOND Doing 1 MM ANGLE Doing 1 MM DIHED Processing MM ELE Doing 1 MM ELENB Doing 1 MM ELE14 Doing 1 MM ELENB Doing 1 MM ELE14 Doing 1 MM ELENB Doing 1 MM ELE14 Processing MM VDW Doing 1 MM VDWNB Doing 1 MM VDW14 Doing 1 MM VDWNB Doing 1 MM VDW14 Doing 1 MM VDWNB Doing 1 MM VDW14 Processing GB GBTOT Doing 1 GB GBSOL No values for GB_GBSOL existing -> Skipping Processing GB GBELE Doing 1 GB GB Doing 1 MM ELE Doing 1 GB GB Doing 1 MM ELE Doing 1 GB GB Doing 1 MM ELE Processing GB GBSOL Doing 1 GB GB Doing 1 GB GBSUR Doing 1 GB GB Doing 1 GB GBSUR Doing 1 GB GB Doing 1 GB GBSUR Processing PB PBSOL Doing 1 PB PBCAL Doing 1 PB PBSUR Doing 1 PB PBDIS Doing 1 PB PBCAL Doing 1 PB PBSUR Doing 1 PB PBDIS Doing 1 PB PBCAL Doing 1 PB PBSUR Doing 1 PB PBDIS Processing PB PBELE Doing 1 PB PBCAL Doing 1 MM ELE Doing 1 PB PBCAL Doing 1 MM ELE Doing 1 PB PBCAL Doing 1 MM ELE Processing PB PBTOT Doing 1 PB PBSOL Doing 1 MM GAS No values for MM_GAS existing -> Skipping Processing MM GAS Doing 1 MM ELE Doing 1 MM VDW Doing 1 MM INT Doing 1 MM ELE Doing 1 MM VDW Doing 1 MM INT Doing 1 MM ELE Doing 1 MM VDW Doing 1 MM INT Processing GB GBTOT Doing 1 GB GBSOL Doing 1 MM GAS Doing 1 GB GBSOL Doing 1 MM GAS Doing 1 GB GBSOL Doing 1 MM GAS Processing PB PBTOT Doing 1 PB PBSOL Doing 1 MM GAS Doing 1 PB PBSOL Doing 1 MM GAS Doing 1 PB PBSOL Doing 1 MM GAS =>> Calc delta from raw data =>> Calc average and stddev =>> Print output to snapshot_statistics.out