Thanks. As I understood from your emails, I need to make index groups of separate chains of my protein, use the index file in order to use in genrestr command and then include the specific itp files for each groups in top file? Do you mean this? Am I right?
One more thing that I need to know is that how it is possible to make an index group except the options appear after running make index command? Thanks in advance. Sincerely, Shima ----- Original Message ----- From: Justin Lemkul <jalem...@vt.edu> To: Shima Arasteh <shima_arasteh2...@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> Cc: Sent: Saturday, March 16, 2013 3:39 PM Subject: Re: Fwd: Fw: Fwd: [gmx-users] position restraints On 3/16/13 7:09 AM, Shima Arasteh wrote: > Do you mean that I need to make 2 backbone_posre.itp files for 2 chains? > It would not be possible because I don't see any option for seperate chains > when running genrestr command. > You need to provide a sensible index group to genrestr to create such groups. -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 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
