Re: [AMBER] AMBER version

From: Jason Swails <>
Date: Mon, 23 Sep 2013 07:27:08 -0400

On Mon, Sep 23, 2013 at 4:27 AM, Mary Varughese <>wrote:

> Sir,
> I performed simulation of a complex with three different target( ligand
> same different nucleic acid sequence). Is there any problem in comparing
> the three simulations, if two of them are run under amber12 and one under
> amber11. ?

Amber has a series of regression tests in its test suite to ensure that
answers do not change from one version to the next. As long as you used
the same force field for each of your systems, the fact that some were run
with Amber 11 and others run with Amber 12 should make no difference.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Mon Sep 23 2013 - 04:30:03 PDT
Custom Search