On 4/22/13 7:38 AM, aixintiankong wrote:
Dear ,
I want to use charmm force field to simulate the protein and ligand
system. The protein can selcet charmm27 in gromacs, but i don't konw how to get
the charmm force field for the ligand. could tell me a simple way to get the to
Topology file for the organic molecule .
There are several options, all external to Gromacs:
https://www.paramchem.org/
http://www.swissparam.ch/
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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