Hi Nazli, No, that's not related to temperature. Otherwise you'd probably see a trend. I guess with the 600K simulation you have another process that interferes and eats CPU. Mind that a simulation running on four/eight cores will be affected significantly by anything that uses a considerable part of a CPU.
Cheers, Tsjerk On May 18, 2015 08:48, "nazli kashani javid" <nazlikja...@gmail.com> wrote: > Hi all > > I'm studying effect of temperature on incredibly stable protein. I've > started simulating at 300K then, 400K and 500K. 30ns simulating takes about > 4days for these three temperature in a same system. when I want to run 30ns > simulation at 600K, it will take more than 20 days!!!! > > does rising temperature, have any affect on time of simulation? > is this increasing in time reasonable? > > thanks > -- > 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.
