Thanks Justin for your reply. But what is the extension of the output coordinate file. And for the .edr file it failed to open in windows; how can I possibly view it
Thanks Rabab Toubar --- On Mon, 7/25/11, Justin A. Lemkul <[email protected]> wrote: > From: Justin A. Lemkul <[email protected]> > Subject: Re: [gmx-users] water box size from output files > To: "Discussion list for GROMACS users" <[email protected]> > Date: Monday, July 25, 2011, 11:15 AM > > > Rabab Toubar wrote: > > Hi > > > > I was wondering if there is a way to determine the > water box size from the output files after the simulation > run is over > > > > Box vectors are printed to the output coordinate file > (final snapshot) and can be extracted from along the > trajectory from the .edr file. > > -Justin > > -- ======================================== > > 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 [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
