[gmx-developers] anisotropic pressure coupling disabled?

[David van der Spoel]

Hi,

I'm trying to run with anisotropic Berendsen pressure coupling but it 
seems that it has been disabled in 4.6 and higher. Anyone know why and 
when?

Even though there may be problems with the ensemble etc. it has 
relaxation properties that are superior to Parrinello-Rahman so it would 
be good to keep it.

Cheers,
-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se