[gmx-users] GroMeta v.2.0
Carlo Camilloni
carlo.camilloni at mi.infn.it
Wed May 7 15:32:16 CEST 2008
Dear Gromacs Users,
after many months, we are finally upgrading the GROMETA code
(Metadynamics with GROMACS) to version 2.0, based on Gromacs 3.3.3.
Major changes include new collective variables
(including path variables) and the well-tempered algorithm
of Branduardi and Bussi. Many bugs have been corrected,
the parser improved (thanks to Laio's group at SISSA) and
the code is clearer and easier to extend to new variables.
If your are interested in trying it,
you can download it using the same userid and password from
http://lxmi.mi.infn.it/~provasi/grometa/
If you do not have an account yet, just send us an e-mail.
If you implement new features on the code, we'd like to
have them included in our version, too, so let us know!
Also let us know if you find bugs or errors.
Carlo Camilloni and Davide Provasi.
Physics Department,
University of Milano.
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