Re: vmd-l: About PLUMED with NAMD VMD

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Feb 27 2013 - 10:10:48 CST

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

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