[gmx-users] simulate a protein covalently binding with a organic molecule

[Justin Lemkul]

On 5/15/13 7:30 AM, aixintiankong wrote:
> Dear,
>      Please help me . i want to simulate a systme of the protein covalently bind with a organic molecule.  Part of the model is standard resides and the rest it is nonstandard(HETNAM) resides. The two parts covalently bind to each other.  i don't know how to get the topology of the model.
>      wait for you help

http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field#Adding_a_new_residue

-Justin

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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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