[gmx-users] How thick layer of water should one add around a protein?

Marcos Villarreal arloa at mail.fcq.unc.edu.ar
Wed Nov 2 14:34:21 CET 2005

On Wednesday 02 November 2005 10:27, Xavier Periole wrote:

> The basic rule is related to the cutoff !!! You want to make sure that
> one molecule
> will not see another molecule and its image. That would be introduce
> periodicity in your system

Oh my! I allways use PME in my simulations ;-)

Grupo de Biofísica
CIQUIBIC-Dpto Química Biológica
Facultad de Ciencias Químicas
Universidad Nacional de Córdoba

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