For some kinds of MD (i.e. implicit solvent models like generalized born and
rism), AmberTools is fine. However, you'll have to write your own NAB
program to do that.
The main MD engines that can do, for instance, periodic boundary conditions
and more advanced techniques (like REMD, TI, and PME with periodic
boundaries), you'll need the full amber package. The current documentation
should describe what each package is capable of.
All the best,
Jason
On Thu, May 6, 2010 at 1:38 PM, Asfa Ali <asfa.iisc.gmail.com> wrote:
> Hi all,
>
> I want to ask that is Ambertools self sufficient for doing MD simulations?
> Or do we need total Amber package to do so?
>
> Kindly help.
>
> Thanks in advance..
> Asfa.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu May 06 2010 - 11:00:04 PDT
