[gmx-users] Restarting simulation -s. files?

[Justin Lemkul]

On 9/28/13 2:46 PM, Xu Dong Huang wrote:
> Hello gromacs users,
>
> I restarted my run due to power failure using mdrun -v -s ****.tpr -cpi ****.cpt, but the output files generating -s.gro , -s.tpr -s.xtc, how do I make it so it continues to update the original .xtc and .tpr files?
>

If you're getting files named -s.* as output, then what you typed above was not 
your command.  Always copy and paste.

Likely, your mdrun line was mdrun -deffnm -s ..., in which case, the .tpr file 
name is simply ignored and the file name prefix was set as "-s," as your output 
would indicate.

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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