Hi, Check out the GROMACS FAQs - this question is a very frequent one! :-)
Mark On Mon, 9 Mar 2020 at 11:42, Sadaf Rani <sadafra...@gmail.com> wrote: > Dear Gromacs users > > I am running a free energy test calculation and using position restraints > for all of the system. At the end of pressure equilibration I am > getting negative average pressure as below:- > > > > Energy Average Err.Est. RMSD Tot-Drift > > ------------------------------------------------------------------------------- > Pressure -0.292343 1.3 60.9244 8.84635 (bar) > > I selected 1 bar ref pressure. Why is it going negative how should I fix > it? I need your kind suggestions. > > Thanks in advance. > > Sadaf > -- > 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.
