[gmx-users] mdrun not working

vivek naik vivek.adishankara at gmail.com
Mon Aug 22 11:11:04 CEST 2016

Dear users,

I was carrying out simulations using Gromacs-LS. It is a flavored version
of 4.5.5 with local stress calculation. But I am sure the problem is
something to do with the binary writing part of the gromacs.

So this is what happened:

I was carrying out a simulation when the hard disk was filled up with no
more space. So the simulation stopped. Now it is not able to run any tpr
file. even the ones that were running smoothly earlier.

I thought this was some linking problem to the library which print the
binary file. Therefore, I recompiled and reinstalled the whole thing again.

I am working on Ubuntu. I cant even say if this is a valid issue.

Best Regards

Vivek Naik.

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