Re: [gmx-users] Multiple runs with a single mdp file

On Apr 4, 2013 7:30 PM, "Tim Moore" wrote: > > Is there a way to run more than one simulation with a single .mdp file? No, unless you happen to be able to abuse the simulated annealing protocol. Shell scripts are among your friends here. Mark > For > instance, if I want to do an equilibration r

[gmx-users] Multiple runs with a single mdp file

Is there a way to run more than one simulation with a single .mdp file? For instance, if I want to do an equilibration run and then the actual production run, do I have to make an input file for each run or can this be done with a single file? Thanks. -- Tim Moore -- gmx-users mailing listg