Help:GROMACS

From MMAE

Molecular Dynamics Simulation wikipedia:GROMACS GROningen Machine for Chemical Simulations

Software homepage

http://www.gromacs.org/

Software availability

kramer cluster

i2lab cluster or others on request

Other related software

MOLDY

command to type to run

View online documentation

Location of example files

kramer: /usr/local/gromacs

[edit] compiation notes

Options used (or should be used) to compile:

 --prefix=/opt/gromacs
 --with-mpi
 --double