VOTCA on /opt/netapps
VOTCA (http://www.votca.org/) has been made available to all LWP users via networked storage.
VOTCA needs Gromacs, therefore you'll first need to set up the environment voor Gromacs:
Next setup the environment for the VOTCA commands itself:
If you use the C-shell (csh), usr this command instead:
You can add these commands to your ~/.bashrc file, so it is automatically run every time you open a terminal.
After this you can start all of VOTCA's commands, e.g.
ctp_tools xtp_map ...
and man pages:
man ctp_tools man ctp_map ...