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.
Mark
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