[gmx-developers] head mdrun broken?
hess at sbc.su.se
hess at sbc.su.se
Tue Dec 22 19:10:23 CET 2009
>> And Berendsen pressure coupling fails with a segv in pme.c - calc_idx
>> because of NaNs in the reciprocal box size..
>
> Berendsen seems to be working OK for me. Sander, could you send me
> your .mdp so I can make sure I'm covering all the options?
>
> Obviously, my test cases before submitting are not broad enough! :)
>
Or, also a known issue, the Gromacs test suite is not broad enough.
Berk
> Best,
> Michael
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