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
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