[gmx-users] Confusions about rlist>=rcoulomb and rlist>=rvdw in the mdp options in Gromacs 2016 (or 2018) user guide??

[Mark Abraham]

Hi,

Note that from 4.6 and until 5.1.x, both the Verlet scheme (which requires
rlist >= cutoff) and the twin-range group scheme (which requires cutoff >=
rlist) were implemented, so the documentation was incomplete. Before
GROMACS 2016, the twin-range scheme was removed and the documentation
corrected.

Mark

On Mon, Mar 26, 2018 at 3:27 PM Szilárd Páll <pall.szilard at gmail.com> wrote:

> rlist >= rcoulomb / rvdw is the correct one, the list cutoff has to be
> at least as long as the longest of the interaction cut-offs.
> --
> Szilárd
>
>
> On Mon, Mar 26, 2018 at 1:05 PM, huolei peng <horaldraman at gmail.com>
> wrote:
> > In the user guide of Gromacs 2016 (or 2018), it shows " rlist>=rcoulomb "
> >  or "rlist>=rvdw" in several places (see the links below), which are in
> > contrast to those in version of 5.15.  Are those changes due to typos?
> > Thanks.
> >
> >
> >
> http://manual.gromacs.org/documentation/2016-current/user-guide/mdp-options.html
> >
> >
> http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html
> >
> >
> http://manual.gromacs.org/documentation/5.1-current/user-guide/mdp-options.html
> >
> >
> >
> > Best,
> >
> > Peng
> > --
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