=>> Init data Presuming executables of amber suite to be in /usr/local/amber7/exe =>> Reading input parameters Found PREFIX => raf Found PATH => ./ Found COMPLEX => 0 Found RECEPTOR => 0 Found LIGAND => 1 Found LIGPT => ./raf_wt.prmtop Found GC => 0 Found AS => 0 Found DC => 0 Found MM => 1 Found GB => 1 Found PB => 0 Found MS => 1 Found NM => 0 Found IGB => 4 Found SALTCON => 0.00 Found EXTDIEL => 80.0 Found SURFTEN => 0.0072 Found SURFOFF => 0.00 Found PROBE => 1.4 Found RADII => ./atmtypenumbers Found TRAJECTORY => ../prod_II/md_nvt_prod_pme_01.mdcrd.gz Found TRAJECTORY => ../prod_II/md_nvt_prod_pme_02.mdcrd.gz Found TRAJECTORY => ../prod_II/md_nvt_prod_pme_03.mdcrd.gz Found TRAJECTORY => ../prod_II/md_nvt_prod_pme_04.mdcrd.gz Found TRAJECTORY => ../prod_II/md_nvt_prod_pme_05.mdcrd.gz =>> Checking sanity Checking GENERAL Checking MM Checking GB Checking MS =>> Creating input Sander input =>> Calculating energy / entropy contributions =>> Doing statistics =>> Values of global variables TEMP = 300 R = 8.314 gammaP = 0.00542 betaP = 0.92 gammaG = 0.0072 betaG = 0.00 =>> Reading input =>> Reordering files Final order: 1. raf_lig.all.out: - =>> Reading files Reading raf_lig.all.out =>> Treat special parameters