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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Received on Wed Aug 30 2006 - 06:07:17 PDT
