Sorry, it seems that I did not express my problem clearly. I add "-maxh 0.1", it should be terminated until 10 minutes maximumly. However, the MD did not stop after over one hour.
At 2017-12-18 15:48:10, "Qinghua Liao" <[email protected]> wrote: >Hello, > >If I understand correctly, it terminates at 0.99*t, t is the time you >set in hour. >In you case, you simulation should be terminated at 0.1*0.99 = 0.099 h, >which is 5.94 minutes. > >PS: 0.1 h is not 10 minutes, but 6 minutes. > >All the best, >Qinghua > >On 12/18/2017 08:05 AM, YanhuaOuyang wrote: >> Dear gromacs user, >> The computing workstation I used has a limited time: 6 hours, >> namely the REMD will be terminated after 6 hours. So I add option "-maxh >> 0.1" in the MD commands to test. The md commands are as below: >> mdrun_mpi -s remd_.tpr -multi 20 -replex 1000 -x remd_.xtc -cpo >> remd_.cpt -e remd_.edr -g remd_.log -c remd_.gro -maxh 0.1 >> >> However the REMD did not terminate after the test time, 10 minutes. >> Why the option "-maxh 0.1" did not work? >> How to solve the limited time problem? >> >> Ouyang, >> Best 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 [email protected]. -- 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 [email protected].
