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.
http://www.tandfonline.com/doi/abs/10.1080/00268976.2013.813594
which discusses the software implementation alongside reusable examples.
Their input files can be downloaded from the project page (see Jérôme's
previous email):
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.
Thank you!
Giacomo
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