Hi, Extending simulations is covered at http://manual.gromacs.org/documentation/2016.4/user-guide/managing-simulations.html but whether you can hope to reproduce a published finding depends on quite a few things.
Mark On Tue, Jan 9, 2018 at 6:31 PM rose rahmani <rose.rhm...@gmail.com> wrote: > Hi; > > i'm doing umbrella sampling. When i compare the PMF with literature it's > similar in TREND, but peaks are not as sharp as literature( my system and > literature are very similar ). if i increase the simulation time(for > example from 4ns to 40ns), is there any possibility that i maybe see the > sharp peaks in my sytem too?if yes, how can i run simulation to continue > the run just after 4ns (to 40ns) NOT again from 0ns? > > With regards > -- > 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.