[gmx-users] OpenMM does not support -reg

venkatesh s svenkateshbioinformatics at gmail.com
Tue Oct 16 15:38:49 CEST 2012

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.)

Thank you

More information about the gromacs.org_gmx-users mailing list