[gmx-users] Consecutive Simulations

Jack Shultz js at drugdiscoveryathome.com
Thu Sep 24 06:11:06 CEST 2009

If I run a simulation using mdrun and then run mdrun again, does it add
another interval of simulation or does it just re-run the last simulation.
I'll elaborate so it makes a little more sense, our project has this
progress bar that tells users the progress of the simulation. If I run mdrun
for 100ps they will think it is stuck in an endless loop. If we run
increments of mdrun, we can update the bar at each increment. Can we go
straight to mdrun or do we have to prep the next increment with grompp?


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