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
Received on Fri Jul 14 2017 - 21:00:03 PDT
