> On Jul 3, 2014, at 6:31 AM, Asmita Gupta <asmita4des.gmail.com> wrote:
>
> Dear users,
>
>
> Is it possible to run ncsu_smd code using either pmemd.MPI or pmemd.cuda in
> amber12, since amber11 does not support this..
No. The ncsu codes are no longer being developed. You can run steered MD in pmemd.cuda (Amber 12 or 14) using the jar keyword (general restraints use the nmropt keyword). These are explained in the manual.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Jul 03 2014 - 08:00:03 PDT
