[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


More information about the gromacs.org_gmx-users mailing list