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: http://merlino.mi.infn.it/~plumed/PLUMED/Home.html
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
**************************************************************
Davide Branduardi
Post Doc- Computational Chemistry
Drug Discovery and Development
ISTITUTO ITALIANO DI TECNOLOGIA
Via Morego 30, 16163 - Genova, Italy
Phone: +39 010 71781573 Room: 1/27
Fax: +39 010 7170187
e-mail:
davide.branduardi.iit.it
davide.branduardi.gmail.com
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
