Hi Ryan,
We currently implemented CoM angles and dihedral in the git version of
amber that should be release soon.
In the meantime I can prepare a patch and send it to you.
Regards,
Kellon
On Thu, Apr 11, 2019, 11:23 AM Kung, Ryan <ryan.kung.uleth.ca> wrote:
> Hello All,
>
> I was trying to use pmemd.cuda on AMBER18.11 to run simulations with a COM
> dihedral restraint but I got the notice "CUDA (GPU): Implementation does
> not currently support the use of COM simulations for angle or dihedral
> restraints. Require iat(3) >= 0."
>
> I was wondering if this was added in updates 12 or 13? If not, is this
> functionality being added anytime soon?
>
> Thanks in advance,
> Ryan
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Received on Thu Apr 11 2019 - 10:00:02 PDT
