[gmx-users] Does current GROMACS-GPU support CMAP dihedrals in CHARMM

zw258 at cam.ac.uk zw258 at cam.ac.uk
Fri May 13 18:52:43 CEST 2011


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



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