Thanks again.
On Wed, Jul 19, 2017 at 10:35 AM, Feng Pan <fpan3.ncsu.edu> wrote:
> 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
> _______________________________________________
> 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 - 22:30:03 PDT
