Re: [AMBER] metadynamics

From: Davide Branduardi <>
Date: Mon, 15 Nov 2010 16:21:51 +0100

Hi Fancy,

 Amber has its own metadynamics modules via the ncsu abmd functionality.
The other option is to use the plumed package (works only in sander and requires patching and recompiling:
It also works for umbrella sampling and smd). For plumed there is already a quite large manual and a we're coming out with a downloadable tutorial.
Best wishes


Davide Branduardi
Post Doc- Computational Chemistry
Drug Discovery and Development
Via Morego 30, 16163 - Genova, Italy
Phone: +39 010 71781573 Room: 1/27
Fax: +39 010 7170187


On Nov 15, 2010, at 2:31 PM, fancy2012 wrote:

> Dear amber users,
> I get to know something about metadynamics from a paper, which the metadynamics calculation was done using gromacs. Can amber do such work, and are there some tutorials related metadynamics? Thanks very much!
> Best wishes,
> fancy
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Received on Mon Nov 15 2010 - 07:30:04 PST
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