Re: [AMBER] Integration scheme used in Amber 9 and 11 ?

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Sat, 14 Jun 2014 12:03:56 +0300

Dear Ravi,

   Amber uses Velocity Verlet as default integration scheme in most of the
cases. However, for Langevin dynamics, using ntt=3, it uses Leapfrog and
for Amoeba it uses beeman_integrator.

HTH
Kshatresh


On Sat, Jun 14, 2014 at 9:30 AM, Ravi Tripathi <abhi.rt8687.gmail.com>
wrote:

> Dear AMBER users,
> Greetings..
> I am interested in knowing which integration scheme is used by Sander in
> Amber 9 and 11.
> Any answer related to this will be highly appreciated. Thanks you in
> advance.
>
> --
> Ravi
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
With best regards
************************************************************************************************
Dr. Kshatresh Dutta Dubey
Post Doctoral Researcher,
c/o Prof Sason Shaik,
Hebrew University of Jerusalem, Israel
Jerusalem, Israel
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jun 14 2014 - 02:30:02 PDT
Custom Search