Thank You However what i wanted to ask was about the parameters to be used. So it would be helpful if someone could guide as to how can i get the parameters that should be used for 3-sulfinoalanine (CSD).
Ashutosh On Thu, Mar 17, 2011 at 8:37 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > ashutosh srivastava wrote: > >> hello >> >> I am using OPLS AA FF and my protein contains a non standard amino acid >> CSD for which the topology parameters are not present . Can someone tell >> how to include CSD into topology file? >> >> > > http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field > > -Justin > > >> ashu >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > 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 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 > -- Regards Ashutosh Srivastava
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