Below is a copy of my "snapshot_statistics.out" after performing the MM_PBSA analysis. The figure seems strange,so is it wrong?
# COMPLEX RECEPTOR LIGAND
# ----------------------- ----------------------- -----------------------
# MEAN STD MEAN STD MEAN STD
# ======================= ======================= =======================
ELE -5733.80 275.92 -715.07 67.08 -6121.03 193.93
VDW 9838839.03 49209.14 1704532.74 13072.10 7862478.01 47761.68
INT 16961061.05 1374150.06 1395257.53 39015.38 15565803.52 1380316.30
GAS 26794166.29 1375930.19 3099075.20 40692.80 23422160.50 1380649.00
PBSUR 125.00 4.38 36.15 0.52 132.17 4.55
PBCAL -14463.90 683.82 -6881.21 60.03 -7558.15 511.71
PBSOL -14338.90 685.27 -6845.07 60.02 -7425.98 512.89
PBELE -20197.70 730.04 -7596.29 51.85 -13679.17 532.29
PBTOT 26779827.39 1376112.38 3092230.13 40684.06 23414734.52 1380753.69
GBSUR 125.00 4.38 36.15 0.52 132.17 4.55
GB -12659.33 239.43 -6889.86 59.91 -6197.69 144.10
GBSOL -12534.33 236.73 -6853.71 59.86 -6065.52 141.68
GBELE -18393.13 169.89 -7604.93 59.16 -12318.72 155.03
GBTOT 26781631.96 1375826.52 3092221.49 40685.34 23416094.98 1380603.09
# DELTA
# -----------------------
# MEAN STD
# =======================
ELE 1102.30 202.21
VDW 271828.28 2129.47
INT 0.00 0.00
GAS 272930.58 2166.40
PBSUR -43.31 0.67
PBCAL -24.54 431.04
PBSOL -67.85 430.98
PBELE 1077.76 430.04
PBTOT 272862.74 2208.27
GBSUR -43.31 0.67
GB 428.21 168.24
GBSOL 384.91 168.08
GBELE 1530.52 93.47
GBTOT 273315.49 2151.82
2010-03-15
geyan
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Received on Mon Mar 15 2010 - 01:30:04 PDT
