From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Jun 17 2013 - 17:48:11 CDT
Hello there, anyone using the collective variables module for professional
or recreational purposes might be interested in this paper:
Giacomo Fiorin, Michael L. Klein and Jérôme Hénin.
Using collective variables to drive molecular dynamics simulations.
which discusses the software implementation alongside reusable examples.
Their input files can be downloaded from the project page (see Jérôme's
New examples include, among others, ambiguous NMR restraints, targeted MD,
relative orientations in a rotating frame, etc. You're encouraged to
contribute your own: email your Github username to be added as contributor,
or simply paste your script as a reply.
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