Hi, Did you try to plot the system pressure versus the simulation time to see if you end up at ~ 300bar? I presume it will take some time to get this high pressure and that would influence (i.e. lower) the average value. Besides of that, I'm not sure how good barostats behave for such very high pressure values, but maybe others can comment on that.
-----Ursprüngliche Nachricht----- Von: [email protected] [mailto:[email protected]] Im Auftrag von Ali Alizadeh Gesendet: Donnerstag, 18. Oktober 2012 17:23 An: gmx-users Betreff: [gmx-users] Average pressure(npt equilibration) could not reach my desired value Dear All users Average pressure(for my npt equilibration) could not reach my desired value(300 bar desired , average value =279 bar) Can i continue my npt equilibration in another npt equilibration for reach my desired value? -- Sincerely -- 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
