[gmx-users] Diferent ensambles for monolayers dynamics

Pedro Alexandre Lapido Loureiro paloureiro at biof.ufrj.br
Wed Dec 1 14:54:00 CET 2004


> only one more short question the 
> presence of vacuum doesn't affect in the result of the surface tension 
> as is calculated in gromacs as it uses de z box size,Lz? 

Yes, you are right, it does affect, as long as surface tension equals

Lz/n(Pzz -(Pxx+Pyy/2)).

Regards.

Pedro.

--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil 



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