[gmx-users] OpenMM does not support -reg
jalemkul at vt.edu
Tue Oct 16 15:40:59 CEST 2012
On 10/16/12 9:38 AM, venkatesh s wrote:
> Respected gromacs people,
> while running mdrun-gpu -v -deffnm
> nvt Following error i got , I searched in net forums and gmx-users
> mailing list but ..?
> So Kindly provide solution for that (grompp nvt step i completed )
> Program mdrun-gpu, VERSION 4.5.5
> Source code file:
> /opt/softwares/compile/gromacs-4.5.5/src/kernel/openmm_wrapper.cpp, line:
> Fatal error:
> OpenMM does not support (some) of the provided interaction type(s)
> (Position Rest.)
You can't use position restraints when running on GPU.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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