alchemical fep amber topology

From: George Madalin Giambasu (
Date: Fri Mar 13 2009 - 13:55:22 CDT


I was wondering if there is a way to run alchemical fep simulations
using Amber topologies (*.parm7 files) using the cvs version of namd?

I found a post by Jerome Henin
( on
the list in which it was stated that the fep setup "does not need CHARMM
anymore", however the Alchemical FEP tutorial states that we have to use
psf files in conjunction the alchemify program.

Thanks in advance for any suggestions or updates!


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