Dear Amber user/coders,
I would like to ask whether there is a way of calculating free energies for
MD frames or not as a post-processing method. I read about MMPBSA.py but my
problem is not as complicated as described in documentation of MMPBSA. I
just want to calculate free energies of user specified residue(s) for each
MD frame. So, is this possible ?
thank you for all your help in advance.
peker milas
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Received on Wed Nov 02 2011 - 10:00:05 PDT
