[gmx-users] Re: Restarting a crashed run
roland at utk.edu
Thu Nov 17 02:15:16 CET 2011
On Wed, Nov 16, 2011 at 7:57 PM, bharat gupta <bharat.85.monu at gmail.com>wrote:
> I was running a simulation of 10ns which crashed in between at 1.7 ns
> due to power failure. I used the following command to restart the
> simulation form that point:
> mdrun -s topol.tpr -cpi state.cpt -append
> After checking the file md_0_1.log and others , I am getting data only
> for those 1.7ns . How can I retrieve the data for the other half of the
> simulation that I restarted ??
Check for "Restarting from" line in log and errors warnings in the log and
the output file. Without more information we can't help.
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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