Yes, there is a patch for Amber14 in that tutorial,
http://ambermd.org/tutorials/advanced/tutorial31/update.amber14.ncsu-pmemd.tar.gz
you can download and apply, but remember for this you need to use the old
format of input
like ncsu_pmd, check Amber14 manual.
Feng
On Wed, Jul 19, 2017 at 12:46 AM, Supriyo Naskar <supriyo199331.gmail.com>
wrote:
> 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.
> ---------------------------------------------
> _______________________________________________
> 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
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Received on Tue Jul 18 2017 - 22:30:02 PDT
