[gmx-users] running a crashed run
Mark Abraham
mark.abraham at anu.edu.au
Thu Jan 20 10:16:13 CET 2011
On 01/20/11, bharat gupta <bharat.85.monu at gmail.com> wrote:
> I have read that document .. but still I do have confusion ..
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> mdrun -s md_0_1.tpr -f md_0_1.trr -e md_0_1.edr -o md_0_1.trr -g md_0_1.log -cpi -append... and I also completed 2 ns of the 3ns simulation.. So I want to whether it will start from 2ns or from beginning...
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It will start from the point that is in the checkpoint file passed with -cpi.
Saving a copy of your simulation directory and trying it out would probably have been faster than emailing.
Mark
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>
> --
>
> Bharat
> Ph.D. Candidate
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>
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