[gmx-users] reconfoguring a .tpr file to run on different number of nodes

Mark Abraham Mark.Abraham at anu.edu.au
Mon Oct 23 03:26:30 CEST 2006

Nayden Markatchev wrote:
> Hello,
> I looked at the manual, the faqs and other random bits I found on the
> web but I couldn't find the answer to the following question.
> Provided I have just a tpr file, and none of the .gro and .top files
> used to create this .tpr file, is it possible to reconfigure this file
> to run on a different number of nodes than originally specified to
> grompp?  And if this is so, what are the steps I need to follow?  In
> the case that this has already been discussed and I have missed the
> topic in my original search, a reference to the discussion would be
> much appreciated.

No, not possible. You need to make a new one using grompp.


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