From: Molecular Dynamics (moleculardynamics_at_yahoo.com)
Date: Tue Nov 22 2011 - 06:21:16 CST
Dear
Namd users,
I
want to run md simulations for binary mixtures consisting of X and Y type
molecules. I have some questions about generating
topology and parameter files. Is it possible to model the molecule X in the
mixture with united atom representationthat treats –CHx
groups as single interacting site and the molecule Y with all atom representationthat treats each atom as a site in CHARMM19 force field?
Thanks
for your help.
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