From: Dhiraj Srivastava (dhirajks_at_gmail.com)
Date: Fri Sep 08 2006 - 15:23:02 CDT
does any one know how to assign atom type during parameterization and what
is the basis of atom type in charmm force field? I am trying to parameterize
a molecule but do not know how to assign atom type? is there any rule for
assigning atom type or it is based on your own choice?
thank you for your help.
-- Dhiraj Kumar Srivastava Department of Chemistry University of Missouri-Columbia MO, 65211 Ph. no. 001-573-639-0153
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