[gmx-users] problem in pr.mdp file

Mark Abraham mark.abraham at anu.edu.au
Tue Jan 1 04:34:39 CET 2008


> What's the difference between the two runs?  Isolate which of the
> differences makes your simulation run slow, and then the answer might
> present itself.

Or use the compare-two-.tpr-files functionality of gmxcheck to see what
the differences were, instead of the .mdp files which you might be
erroneously thinking correspond to the .tpr files, but which actually
don't.

Mark




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