[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:
https://gerrit.gromacs.org/#change,98
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
correctness,
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.
Berk
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