[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 ..
> 
>  
> 
> 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...
> 
> 

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
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