[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:
618

Fatal error:
OpenMM does not support (some) of the provided interaction type(s)
(Position Rest.)

Thank you
-- 
*Regards,
S.VENKATESH,*



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