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

Szilárd Páll pall.szilard at gmail.com
Mon Mar 26 15:27:07 CEST 2018


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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