UMBC High Performance Computing Facility
How to run Surflex on tara
Introduction
To run the
Surflex software on tara, use the commands
[araim1@tara-fe1 ~]$ surflex-dock
[araim1@tara-fe1 ~]$ surflex-sim
We have set an environment variable SURFLEX_HOME, which gives the path to
the latest version. The default.param file can be found at the path
$SURFLEX_HOME/share/default.param and the examples for each program
are located in their respective folders under $SURFLEX_HOME/share/examples.