On Tue, Sep 18, 2012 at 2:43 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/18/12 8:29 AM, Dr. Vitaly Chaban wrote: >> >> Dear All - >> >> I an using the current version of gromacs. Although I have >> >> nstxout = 0 >> nstvout = 0 >> nstfout = 0 >> >> in the MDP file, the traj.trr file appears during the MD run (and is >> quite large). In older versions, there was no traj.trr with such an >> input. >> >> Did I miss something, please? >> > > The above combination should turn off production of a .trr file. Something > doesn't add up. Verify your settings in the .log and/or .tpr file - perhaps > you've mixed up .mdp files. > > -Justin
Thanks. You calmed me down. I was thinking that some new keywords had been added controlling TRAJ.TRR. I will investigate the contents of my TRR file... > -- > ======================================== > > 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
