On Tue, Jul 1, 2014 at 5:53 AM, Takeshi Baba <tbaba.cheng.es.osaka-u.ac.jp>
wrote:
> Dear amber developers,
>
> I have a question about the following e-mail.
>
> From: Ross Walker <ross.rosswalker.co.uk>
> Date: Fri, 13 Dec 2013 12:25:18 -0800
>
> Hi Igor,
>
> It is planned for AMBER 14 (the next version of AMBER, we are skipping 13).
>
> All the best
> Ross
>
> On 12/13/13 12:17 PM, "Igor Marques" <igor.dragon88.gmail.com> wrote:
>
> >to the amber devs:
> >
> >will pmemd.cuda support COM restraints in the near future?
> >
> >many thanks,
> >igor
> >
>
> Amber14 has already been released.
>
> Do you have a plan that pmemd.MPI or pmemd.cuda support COM restraints in
> the near future ?
>
pmemd.MPI already supports COM restraints for distances (not angles or
torsions).
This is on a to-do list for pmemd.cuda, but it is behind a number of other
(big) projects, as far as I know.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Jul 01 2014 - 09:00:03 PDT
