Re: [gmx-users] simulate a protein covalently binding with a organic molecule
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 -- 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 -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
[gmx-users] simulate a protein covalently binding with a organic molecule
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 thank you very much! -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
[gmx-users] simulate a protein covalently binding with a organic molecule
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 thank you very much! -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
