Hi,
Offhand, gen-pairs won't work without matching pairtypes, but
nonbond_params will override anything that might have been looked up from
pairtypes.
Mark
On Mon, Apr 3, 2017 at 2:39 PM Vries, de, H.W. <
h.w.de.vrie...@student.rug.nl> wrote:
> Dear all,
>
> I was wondering: what priority does
Dear all,
I was wondering: what priority does GROMACS use for comparing
[nonbond_params], [pairtypes], and gen-pairs-based cross-terms?
I.e., are pairtypes additive to gen-pairs, with nonbond_params overwriting
any cross-term defined through cross-terms?
The reason I am asking is that I am
