[gmx-users] extending npt step/generating output from crashed/fatal error-based quit session.

David Newman david.newman-4 at postgrad.manchester.ac.uk
Tue Apr 5 14:29:57 CEST 2016

While running the npt step gromacs encountered the following error about 4-6ps before the end of the mdrun:

File input/output error:


I tried the commands for extending the simulation but these seem setup for the production runs as it quite complaining about the lack of topol.tpr, is there a way to either output what I need for the production run from what I have or a set of commands that allow me to finish the crashed sim?



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