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

[Zhi Wang]

On 2011-5-14 0:52, zw258 at 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