[gmx-users] Simulations on GPU
rossen at kth.se
Fri Jan 14 09:58:37 CET 2011
> 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.
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.
>> gmx-users mailing list gmx-users at gromacs.org
>> Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
>> Please don't post (un)subscribe requests to the list. Use the www interface
>> or send it to gmx-users-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users