[gmx-users] Problems with gmx 3.0.3
t.a.wassenaar at chem.rug.nl
Mon Nov 25 10:52:19 CET 2002
Trying to do some simulations with Gromacs 3.0.3 I see all of them crash
at the first md step, after successful em. The reason for using 3.0.3 is
that I'm using a modification, a rototranslational constraint, for the
simulations, which was made by Andrea Amadei.
However, the problems arise both in the native as in the modified
versions which I've compiled locally.
Performed a check with 3.1.3 and that runs smooth like a baby...
Probably this is a known problem, but I couldn't find it in the list...
-- :) Tsjerk A. Wassenaar, M.Sc.
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