Shay Amram wrote:
Greetings dear Gromacs users,
I have recently been simulating a POPG membrane* in water (SPC). Several
of my simulations after running well into the 10ns and 20ns are
sometimes getting a "Forces for atom X are large".
I'm rather unsure as to the cause of this situation. Moreover, as far as
I can tell from viewing the simulation, the system _does NOT_ explode
(as may be suggested by wiki.gromacs and some previous answers to this
kind of situation). The rest of the simulation looks much as it did in
the beginning.
I would be interested (and thankful!) to hear any of your opinions as to
why I'm getting this message (or how to catch the culprit), and more
importantly, how to prevent it from happening in the future.
During this version-transitive period, it's always right to report the
GROMACS version that you're using. It would normally be right to be
using the most recent version (4.0.2) if encountering problems.
Mark
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