[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


I am writing to ask if current GROMACS-GPU supports CMAP dihedrals in 

We are trying to run GROMACS on GPU. It is mentioned on GROMACS website 
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?


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