[gmx-users] set computer time on REMD simulation
15901283893 at 163.com
Mon Dec 18 08:21:31 CET 2017
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?
More information about the gromacs.org_gmx-users