From: manikanthan bhavaraju (
Date: Mon Jun 17 2013 - 10:18:25 CDT


I am trying to perform conformational search of a ligand using M2 software.
However, the software requires .psf, .top, and .crd files in the CHARMM
format. I don't have access to this software. I have a pdb file of the
ligand and was trying to generate the required files using VMD with
CHARMM27 forcefield. I couldn't generate a .psf file for the ligand in
VMD. Is there a way to generate .top and .crd files using VMD? Please let
me know about it