[gmx-users] using CHARMM force field for organic molecule

[Dr. Vitaly Chaban]

"a simple way" is x2top

Dr. Vitaly Chaban


On Mon, Apr 22, 2013 at 1:38 PM, aixintiankong <aixintiankong at 126.com>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 .
>     thank you !
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