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>
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
