AMBER Archive (2003)

Subject: mm_pbsa with PBCAL = 0

From: wentaofu (wentaofu_at_uic.edu)
Date: Fri May 16 2003 - 14:14:42 CDT

Dear Amber users:

I tried a mm_pbsa calculation on a Protein/Ligand complex and get the
following results. The PBCAL is 0. I checked my input and I used the same
parameters as the examples gaven by amber. Would you please give me some
suggestions on how this can happen?

Thanks,
Wentao Fu
Ctr. for Pharm. Biotech.
University of Illinois at Chicago

# DELTA
# -----------------------
# MEAN STD
# =======================
ELE -153.60 9.38
VDW -42.24 3.32
INT 0.00 0.00
GAS -195.84 9.94
PBSUR -2.85 0.19
PBCAL 0.00 0.00
PBSOL -2.85 0.19
PBELE -153.60 9.38
PBTOT -198.69 10.01
GBSUR -3.66 0.25
GB 152.13 8.29
GBSOL 148.47 8.21
GBELE -1.48 4.50
GBTOT -47.37 4.08