[gmx-users] Freezing groups and energy conservation

Francesco Mambretti francesco.mambretti at studenti.unimi.it
Mon Nov 10 09:10:46 CET 2014

I am running in single precision, my time-step is 1 fs (0.001 ps, usually
works fine). However, I achieved very good energy conservation when I
changed integrator from "md" to "md-vv". It sounds quite strange to me, but
it works, so...
Thanks, however!


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