[gmx-users] Skewed box using Parrinello-Rahman pressure coupling
Stéphane Téletchéa
stephane.teletchea at jouy.inra.fr
Wed Feb 20 13:33:57 CET 2008
Berk Hess a écrit :
>> Is the fix committed already, i cannot get it from the current cvs
>> repository?
>>
>> Cheers,
>> Stéphane
>
> Yes, it is: revision 1.57.2.7 of pbc.c.
> It just adds "2*" in front of BOX_MARGIN.
>
> Berk.
ok, found, forgot to add the 3.3 branch tag...
Thanks for the fix.
--
Stéphane Téletchéa, PhD. http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert Tél : (33) 134 652 891
78352 Jouy-en-Josas cedex, France Fax : (33) 134 652 901
More information about the gromacs.org_gmx-users
mailing list