> Others alternatives are welcome. Look up NACCESS. It can do what you want on pdb frames extracted from a trajectory.
--- On Mon, 12/13/10, Justin A. Lemkul <jalem...@vt.edu> wrote: > From: Justin A. Lemkul <jalem...@vt.edu> > Subject: Re: [gmx-users] [Fwd: g_sas for each residu] > To: "Discussion list for GROMACS users" <gmx-users@gromacs.org> > Date: Monday, December 13, 2010, 4:45 AM > > > Stephane Abel wrote: > > Hi all, > > > > > > I would like to use g_sas to compute and give surface > area changes of each residu of a peptide (25 AA long) and > *not* the average per residu given by the argument -or) > along the simulation time. If yes how ? Of course, i > think, i can use an index file, but for 25 AA, it will take > a long time..... > > > > > > Others alternatives are welcome :-) . > > Aside from modifying the code to do this, I don't see a way > that g_sas will produce what you want in a single run. > > -Justin > > > > > > > Thank you in advance for your response > > > > Stephane > > > > > > -- ======================================== > > 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 > -- 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