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A significant
fraction of our work involves the biomolecular simulation
program CHARMM. The academic version of
CHARMM is distributed
by Martin Karplus at Harvard. The commercial version of
CHARMm
is distributed by Accelrys, a subsidiary of Pharmacopeia Inc.
Here, you will find specific examples of input files for running
CHARMM calculations, data files, and various software and programs developed
in our group. We hope that they will be useful to you.
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