AMBER Archive (2006)

Subject: AMBER: mm_pbsa_statistical.pl

From: William Wei (william.wei_at_utoronto.ca)
Date: Tue Aug 29 2006 - 16:02:32 CDT

Dear all,

I was using mm_pbsa to calculate the deltaG. By some reason it stopped at
statistical accounting. Because it took a long time to finish the free
energy for my snapshots. I have the output for Com. Rec. and Lig. from
mmpbsa. What is the command for "mm_pbsa_statistical"?

usage: mm_pbsa_statistics.pl <calc delta ? 0..1> <input file> <output
file>

what is the first parameter "calc delta ? 0..1". If I have 100 snapshots
for Com, rec. and lig. what is my input?

Anybody used that? Thanks in advance,
William

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