VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Feb 27 2013 - 10:10:48 CST
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Hi,
The PLUMED plugin in VMD was contributed by Toni Giorgino
(toni.giorgino_at_isib.cnr.it).
Toni is probably the best person to ask about PLUMED integration with NAMD,
due to extensive experience with PLUMED itself. I don't know whether anyone
here has used PLUMED.
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Feb 27, 2013 at 09:16:28AM +0100, Francesco Pietra wrote:
> Hello:
> I came across unanswered questions that I summarize here. I assume to
> have missed answers.
>
> As a PLUMED plugin is now available with VMD:
>
> ---Can PLUMED be run with namd 2.9? What about CUDA version?
>
> --Many publications using PLUMED are available in PLUMED web, dealing
> with various aspects, such as protein-protein interaction or
> conformational search, carried out with PLUMED implemented into
> various software. Is any collections of publications available by
> merely using colvars implemented in NAMD?
>
> --Is any advantage provided by PLUMED with respect to the methods
> implemented in NAMD?
>
> --Is PLUMED capable to deal with free energy?
>
> Thanks
>
> francesco pietra
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/ Fax: 217-244-6078
- Next message: Maximilian Ebert: "Re: Load a molecule in a function without output and slow Tcl gui console"
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