Dear AMBER Users
I have a set of simulations performed using Gromacs. My trajectory is in
the .xtc format and topology is in .tpr format. The entire trajectory is
also present in PDB format. I want to calculate pairwise interaction energy
using MMPBSA. How can I go about it?
(I have used g_mmpbsa in Gromacs; however, pairwise decomposition is not
possible to give a n*n matrix of energy values)
Thanks in advance for the help.
Regards
Suchetana Gupta
PhD Scholar
IIT Madras
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Received on Mon Mar 21 2016 - 22:30:03 PDT
