[AMBER] MMPBSA.py: energy decomposition

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Mon, 16 Sep 2013 13:31:11 +0530

Dear users,

I am calculating energy decomposition for a peptide-protein complex using
MMPBSA.py, AmberTools 13. After few minutes job dies with
 '/home/kshatresh/amber12/bin/cpptraj failed with prmtop complex.top'
I think that complex topology is not correct which causing error. However,
same topology runs fine for NMODE and binding free energy calculations. I
repeated several time with regenerated complex topology but every time I am
facing same error. Please help me to point out the problem.

With best regards
Dr. Kshatresh Dutta Dubey
Post Doctoral Fellow
Indian Institute of Technology Kanpur
Kanpur, India
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Received on Mon Sep 16 2013 - 01:30:06 PDT
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