[gmx-users] Re: Restarting a simulation after replacing an empty md.trr file

Hello Sir, Thanks for the reply. now is it fine if i use 100 threads in my restart. is there any impact on the over all simulation? -- View this message in context: http://gromacs.5086.x6.nabble.com/Restarting-a-simulation-after-replacing-an-empty-md-trr-file-tp5012443p5012459.html Sent from

[gmx-users] Re: Restarting a simulation after replacing an empty md.trr file

Thank you Sir, initially i was running on 60 threads, now i changed it to 100. simulation is running with out any error, but i found a note in the log file as fallows #nodes mismatch, current program: 100 checkpoint file: 60 #PME-nodes mismatch, current program: -1 checkpoint