Dear Amber,
My pbsa out put file is blow:
# COMPLEX RECEPTOR
LIGAND
# ----------------------- -----------------------
-----------------------
# MEAN STD MEAN STD
MEAN STD
# ======================= =======================
=======================
ELE -6803.94 114.19 -6670.34 114.97
-101.61 1.59
VDW -1772.99 26.24 -1734.65 26.33
5.04 1.38
INT 16439.74 2118.23 16405.28 2118.61
34.47 3.69
GAS 7862.82 2103.51 8000.29 2101.62
-62.10 3.76
PBSUR 157.30 1.27 158.36 1.29
3.21 0.02
PBCAL -8491.30 115.80 -8517.82 116.78
-20.24 1.30
PBSOL -8333.99 115.33 -8359.46 116.33
-17.03 1.30
PBELE -15295.23 43.75 -15188.16 43.63
-121.85 1.32
PBTOT -471.17 2106.88 -359.17 2106.46
-79.13 3.67
# DELTA
# -----------------------
# MEAN STD
# =======================
ELE -31.99 3.11
VDW -43.38 2.20
INT -0.00 0.00
GAS -75.37 3.88
PBSUR -4.26 0.21
PBCAL 46.76 3.32
PBSOL 42.50 3.36
PBELE 14.77 2.58
PBTOT -32.87 3.02
The STD value is high in the PBTOT of complex, receptor.
Is it wrong?
Thanks !
Alice Wang
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Received on Sun Dec 05 2010 - 18:30:04 PST
