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@ -4,9 +4,24 @@ that allows enhanced sampling in molecular dynamics simulations.
The module is written to maximize performance, portability,
flexibility of usage for the user, and extensibility for the developer.
The following publication describes the principles of
The development of the colvars library is now hosted on github at:
http://colvars.github.io/
You can use this site to get access to the latest development sources
and the up-to-date documentation.
Copy of the specific documentation is also in
doc/PDF/colvars-refman-lammps.pdf
Please report bugs and request new features at:
https://github.com/colvars/colvars/issues
The following publications describe the principles of
the implementation of this library:
Using collective variables to drive molecular dynamics simulations,
Giacomo Fiorin , Michael L. Klein & Jérôme Hénin (2013):
Molecular Physics DOI:10.1080/00268976.2013.813594
Exploring Multidimensional Free Energy Landscapes Using
Time-Dependent Biases on Collective Variables,
J. Hénin, G. Fiorin, C. Chipot, and M. L. Klein,