Hi All,
I want to use MMPBSA.py script for calculating the free energy of binding
between protein and ligand. However, I generated the trajectory of my
system using NAMD program and CHARMM force field. Therefore, I have only
.psf, .dcd and charmm parammeter files. Is there any way to use MMPBSA.py
program for this trajectory.
Moreover, are there any ambertools that convert .psf to .prmtop file?
thanks in advance
Sudipta
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Received on Fri Sep 13 2013 - 08:00:04 PDT
