<<< home

GROMACS_MTDEC - web.vscht.cz/spiwokv/mtdec/ - January 2008

cyclohexane FES
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