On 29 May 2011 14:45, <[email protected]> wrote: > Hi all.. > I want to ask if it is possible to restart the md run if due to power > problem final md run not completed means initiating md from where is stop > due to any reason? >
You can supply the checkpoint file written out, by -cpi option to mdrun and continue your simulation. For more information see mdrun -h. Best Wishes, Sarath -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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