[gmx-users] restarts
ingram
ingram at fhi-berlin.mpg.de
Wed May 4 14:33:00 CEST 2016
Dear GROMITES
I have run a simulation that will take longer than a day (longer than
my allowed time for one simulaiton on the cluster)
I ran the command mdrun -deffnm md_golp
Now I'm not sure which .cpt file to use. Two are produced, one called
state.cpt and one called md_golp.cpt. They are different, but why and
which one should I use to continue the simulation?
Best
Teresa
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