Minimization with CHARMM

From: ted q (
Date: Sat Feb 07 2004 - 15:56:11 CST


I'm a new user of NAMD and am trying to create/find a simple configuration
file to minimize a PDB structure with the CHARMM potential. I already have
downloaded the potential and have a very basic script, but the minimization
doesn't appear to work that well, and I suspect it's because my parameters
are non-optimal - could someone suggest a decent script to start out with?


Ted Quon
Research Assistant
University of Waterloo

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