Den 2020-03-09 kl. 20:14, skrev Travis Meyer:
Hello all,
I am a very new user to GROMACS and MD simulations in general. While going
through some tutorials and other test simulations I've been getting some
floating point exception errors. I recognize that there are a vast number of
problems that could be causing this - I am not looking for any solutions to a
specific problem, but am mostly wondering if there is a good procedure for
troubleshooting these errors. Are there a couple of most-likely culprits which
I should check first?
Thanks in advance!
Travis
Travis Meyer, Ph.D.
INSPIRE Postdoctoral Fellow
Gormley Lab, Rutgers University
These are rather uncommon unless you have truly unphysical setups (e.g.
due to a unit problem) or broken hardware. Hard to tell based on your
mail unfortunately.
--
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
http://www.icm.uu.se
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