Hi,
I get this error when I try to run mdrun-gpu with a forcefield that
has GROMOS interaction types:
Fatal error: OpenMM does not support (some) of the provided
interaction type(s) (G96Angle).
Maybe it's possible to run a short simulation on a small system and
not encounter the missing interactions? I don't know enough about how
the forcefields work to know whether that would get past the error.
-Keith
I doesn't matter whether the simulation is short or the system small.
You can exclude certain interaction types from the FF but then you'll
end up with a most likely meaningless model.
Rossen
Rossen
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