[gmx-users] Vacuum simulation in Gromacs 5

[Mark Abraham]

Hi,

That particular optimization hasn't been implemented in the multi-domain
case. It's on the table for post 5.1, however.

Mark

On Thu, 11 Jun 2015 17:45 Jan Jirsák <janjirsak at gmail.com> wrote:

> 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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