Thank you so much Dr. Lemkul. Hadi
On Thu, Nov 7, 2019 at 2:04 PM Justin Lemkul <jalem...@vt.edu> wrote: > > > On 11/7/19 12:26 PM, Patel, Lara Anne wrote: > > Hi Hadi, > > > > > > I have only gotten prints of "stepXXX.pdb" when something is going wrong > with the simulation. That is not a printing option but rather supposed to > help you in diagnosing the problem. > > This is indeed their intended purpose. If suppressing them is really > necessary, one can do that with > > export GMX_SUPPRESS_DUMP=1 > > -Justin > > > > > ________________________________ > > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se < > gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Hadi > Rahmaninejad <ha.rahma...@gmail.com> > > Sent: Thursday, November 7, 2019 10:04:58 AM > > To: gmx-us...@gromacs.org > > Subject: [gmx-users] printing option > > > > Hello gromacs users, > > > > Can any body give me a reference page in gromacs manual for printing > option > > in energy minimization? I know for nvt other steps, but in energy > > minimization it automatically prints a lot of "stepXXX.pdb" which are > > unnecessary and I want to avoid that. > > > > Thanks, > > Hadi > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Office: 301 Fralin Hall > Lab: 303 Engel Hall > > Virginia Tech Department of Biochemistry > 340 West Campus Dr. > Blacksburg, VA 24061 > > jalem...@vt.edu | (540) 231-3129 > http://www.thelemkullab.com > > ================================================== > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.