From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Feb 27 2013 - 10:10:48 CST
The PLUMED plugin in VMD was contributed by Toni Giorgino
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.
On Wed, Feb 27, 2013 at 09:16:28AM +0100, Francesco Pietra wrote:
> 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?
> 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
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