On 2011-5-14 0:52, zw...@cam.ac.uk wrote:
Hello.
I am writing to ask if current GROMACS-GPU supports CMAP dihedrals in
CHARMM.
We are trying to run GROMACS on GPU. It is mentioned on GROMACS
website
(http://www.gromacs.org/Downloads/Installation_Instructions/GPUs?highlight=gpu)
that CMAP dihedrals in CHARMM are not support. However, we found it is
supported in current OpenMM. Is this problem solved in current
GROMACS-GPU version?
Cheers,
Zhi
Hello all,
I am not sure this is the suitable place for my question. Or should I
post it to gmx-developers?
Cheers,
Zhi
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