[gmx-users] concatenating 2 xtc files

Kavyashree M hmkvsri at gmail.com
Fri Aug 2 16:35:04 CEST 2013


But if something went wrong, then "over" is rather irrelevant, isn't it?

Yes. I am planning to rerun ifI dont get any solution.

> So your simulation started from some previous point and re-ran?  I don't
> see how this would be possible given what you have been posting.

The overlap was because. Even though I continued from the ~5ns
in 64 cores I had run a little longer in 8 core machine. AS the job was in
queue for a long period.

> That's why I asked before about checking the contents of the .tpr file.
>  You need to verify what it is exactly that you're doing and identify
> sources of potential problems.

Thank you

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