generating PSF files using CHARMM for FEP calculations

From: Satyavani Vemparala (vani_at_VITAE.CMM.UPENN.EDU)
Date: Thu Mar 04 2004 - 11:56:07 CST


Iam trying to use CHARMM for generation of PSF files for FEP calculations.
Is it still the only way to include excluded atom information? is anything
new has been added to the PSFGEN of NAMD which allows one to include this

any pointers towards thr script to use with CHARMM to read the PDB file,
topology, parameter files and commands to generate the PSF file would be


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