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GROMACS_MTDEC -
web.vscht.cz/spiwokv/mtdec/
- January 2008
GROMACS with additional implementation of metadynamics in essential coordinates
DOWNLOAD
gromacs332mtdec.tar.gz
(8.0 MB)
mtdec_tutor.tar.gz
(0.1 MB)
INSTALATION
Same as for the standart Gromacs compilation (see
instructions
). We recomend you to install gromacs322mtdec separately and to use standard Gromacs for general simulations.
MANUAL
gromacs332mtdec.pdf
(0.3 MB)
REFERENCE
Spiwok V, Lipovová P, Králová B (2007)
J Phys Chem B
111
, 3073-3076.
10.1021/jp068587c
ACKNOVLEDGMENT
Thanks to
Dr. Oliver Lange
.
LINKS
youtube videos
Gromacs