From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Dec 08 2017 - 07:08:36 CST
META-GUI is largely based on the use of the files COLVAR and HILLS, or
similar names. The former is named <outputName>.colvars.traj in Colvars,
the latter is called <outputName>.metadynamics.hills.traj and you can
enable it by the writeHillsTrajectory keyword.
Details are available here:
http://colvars.github.io/colvars-refman-namd/colvars-refman-namd.html#sec:colvarbias_meta
Giacomo
On Fri, Dec 8, 2017 at 3:06 AM, Rabeta Yeasmin <rabetayeasmin_at_gmail.com>
wrote:
> Dear all,
>
> Thank you very much for all of your information. I am wondering if I can
> run bias-exchange metadynamics on NAMD using colvar module and how can I
> analyze results of metadynamics. In the tutorial, they had shown plotting
> pmf. But if I want to find the kinetic basins, how can I get it.
> I have found one program META-GUI for analyzing metadynamics results which
> is based on plumed output version. I am wondering if I can that program to
> analyze metadynamics from NAMD.
>
> Rabeta Yeasmin
>
> On Thu, Dec 7, 2017 at 5:49 PM, Rabeta Yeasmin <rabetayeasmin_at_gmail.com>
> wrote:
>
>> Dear NAMD users,
>>
>> I am trying to run metadynamics in NAMD. I have searched online for
>> related information. I have found one tutorial in NAMD tutorial and also
>> found something like-running metadynamics using plumed version- in NAMD
>> version-. I am wondering if these two methods are same or not. If yes, how
>> am I going to use plumed with NAMD.
>>
>> Thanks.
>>
>> Rabeta Yeasmin
>>
>
>
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
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