[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


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