Thanks for your reply.
Can I apply the path in amber14 ?
On Sat, Jul 15, 2017 at 9:06 AM, Feng Pan <fpan3.ncsu.edu> wrote:
> Hi,
>
> Yes, three restraints are supported by the &pmd module,
> you need to download and apply the patch first to Amber16
> http://ambermd.org/tutorials/advanced/tutorial31/nfe_advance.patch.tar.gz
>
> check the tutorial and the Amber16 for the usage.
>
> Feng
>
> On Fri, Jul 14, 2017 at 12:45 AM, Supriyo Naskar <supriyo199331.gmail.com>
> wrote:
>
> > Dear Amber Users,
> >
> > I am doing a umbrella sampling where I have three restraints, one
> distance
> > and two angular.
> > I am using sander to run my simulation, but not able to run using PMEMD
> or
> > cuda.
> > Does PMEMD not support this kind of restraints?
> >
> > Thanks,
> >
> >
> >
> > --
> > --------------------------------------------
> > Regards,
> > Supriyo Naskar
> > PhD Student, Department of Physics,
> > Indian Institute of Science, Bangalore.
> > ---------------------------------------------
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Feng Pan
> Ph.D. Candidate
> North Carolina State University
> Department of Physics
> Email: fpan3.ncsu.edu
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
--------------------------------------------
Regards,
Supriyo Naskar
PhD Student, Department of Physics,
Indian Institute of Science, Bangalore.
---------------------------------------------
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Received on Tue Jul 18 2017 - 22:00:03 PDT
