Availability
The cluster has both AutoDock3 and AutoDock4 installed. The cluster also has MGLTools 1.4.4 and 1.4.5 installed.
AutoDock notes
- AutoDock 3 and 4 can work separately at the same time, as the executable names are different.
- By default, both will be loaded in your $PATH.
MGLTools notes
- MGLTools 1.4.4 and 1.4.5 have the same executable names, so you can have only one of these versions at a time in your path.
- By default, MGLTools 1.4.4 will be available in your path.
- To load MGLTools 1.4.5, please do:
module unload adt module load adt-1.4.5