Thank you sir
On Mon, May 6, 2013 at 4:39 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 5/6/13 7:03 AM, Sathish Kumar wrote: > >> I want to do simulation of protein at pH 12, in this case experimentally >> reported that the disulphide bonds of protein was broken and sulphurs >> become S negative . Can you please tell me making of disulphide as S- >> and >> S- is it correct and how to set force field to this. >> > > Some force fields (like the Amber parameter sets and some others) have the > CYM residue, which is the thiolate form of cysteine. Find which force > fields have this residue, read about their use, and make a choice based on > what you find. > > -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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- regards M.SathishKumar -- gmx-users mailing list gmx-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