[gmx-users] GPU CUDA version does not support improper dihedrals?

[chris.neale at utoronto.ca]

This surprised me since most of the systems that I am interested in
have improper dihedrals. Is it possible that I did something wrong here?

### Error message from mdrun-gpu:

Program mdrun-gpu, VERSION 4.0.99-dev-20100315
Source code file:
/project/pomes/cneale/GPC/exe/intel/GPUgromacs/gromacs-4.5-beta2/src/kernel/openmm_wrapper.cpp,  
line:
610

Fatal error:
OpenMM does not support (some) of the provided interaction type(s)
(Improper Dih.)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

<I'm posting again the same topic as  
http://lists.gromacs.org/pipermail/gmx-users/2010-August/053018.html  
in case my first post was overlooked in the batch that came through  
when the mailing list was fixed>