[gmx-developers] additional rtp entries

Berk Hess hess at cbr.su.se
Mon Sep 19 16:20:34 CEST 2011

Hi all,

We don't have a strict official policy for inclusion of rtp building 
blocks in the standard
share/top forcefield directories in Gromacs.

One option would be to only allow "official" force field building blocks 
(where the definition
of official is already difficult) and put everything else on the 
gromacs.org contributions page.

I bring this up because of a contribution of ATP for AMBER on gerrit:
In this contribution certainly references should be added so it's clear 
where the parameters
come from. But such contributions should be carefully checked on 
but equally important, on compatibility with the force field and 
something like "acceptance"
in the community.

ATP would indeed by useful, but if it's easy to find on the 
contributions page that would
also work.


More information about the gromacs.org_gmx-developers mailing list