I think there are strong similarities between metadynamics and adaptively
biased MD (ABMD), which amber does support. There is an entire section in
the amber manual devoted to ABMD (and related free energy methods as part of
the code written by the developers at NCSU). It may be worth taking a look
at that section and the related literature to get a better idea if this is a
tool that would be useful to you.
Good luck!
Jason
On Mon, Nov 15, 2010 at 7:31 AM, fancy2012 <fancy2012.yeah.net> 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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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon Nov 15 2010 - 06:30:04 PST
