[gmx-users] Vacuum simulation in Gromacs 5

Jan Jirsák janjirsak at gmail.com
Thu Jun 11 17:45:33 CEST 2015


David van der Spoel <spoel at ...> writes:
> Use grid search in any case. It supports vacuum.

Thank you very much, it seems to work. I wonder, does nstlist variable have
any relevance in this case? I mean, here all particles interact with one
another, so it should be sufficient to build neighbor list just once, but
still Gromacs does not allow me to set nstlist=0.

Thanks, Jan





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