[gmx-users] TraPPE-EH in GROMACS

[Alessandra Villa]

Hi
Maybe the definitions in the manual page (middle part) below may help you.
(
http://manual.gromacs.org/documentation/current/reference-manual/topologies/topology-file-formats.html?highlight=file%20top
)
Best regards
Alessandra

On Tue, Jan 28, 2020 at 8:41 AM Dhrubajyoti Maji <dmaji43 at gmail.com> wrote:

> Dear gromacs users,
>         I want to use TraPPE-EH force field parameters in GROMACS-2018.3. I
> have understood that in top file nbfunc=1,
> comb-rule=2,fudgeLJ=0.5,fudgeQQ=0.8333. But what will be the values of
> gen-pairs, nrexcl and [ pairs] section ? Any kind of help will be highly
> appreciated.
> Thanks and regards
>
> Dhrubajyoti Maji
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>