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

From: Jason Swails <>
Date: Sat, 14 Jun 2014 09:07:45 -0400

On Sat, Jun 14, 2014 at 5:03 AM, Kshatresh Dutta Dubey <>

> 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.

​Actually sander and pmemd always use leapfrog (although Beeman is
available for Amoeba simulations).

mdgx and nab both use Velocity Verlet.

All the best,

Jason M. Swails
Rutgers University
Postdoctoral Researcher
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Received on Sat Jun 14 2014 - 06:30:03 PDT
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