[gmx-users] Does current GROMACS-GPU support CMAP dihedrals in CHARMM
rossen at kth.se
Mon May 16 11:26:44 CEST 2011
Only OpenMM-2.0 (no CMAP) is supported in the gromacs 4.5 releases.
There are no plans at the moment to support all new functionality in
On 5/16/11 9:06 AM, Zhi Wang wrote:
> On 2011-5-14 0:52, zw258 at cam.ac.uk wrote:
>> 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
>> 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?
> Hello all,
> I am not sure this is the suitable place for my question. Or should I
> post it to gmx-developers?
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