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:
618
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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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