Required Parameters

-calc <run_type>

Selects type of calculations to be performed. There are two possible strings for parameter run_type: conf and solv. The first one asks freeform for the evaluation of conformational free energies while the second one tells freeform that solvation free energy is to be calculated. Default flag value is set at conf.

-in <filename>

Molecular input file name in any format supported by OpenEye product OMEGA. Warning: File name: freeform.oeb is used as the default output file name, so should be avoided as an input file name.

-i <filename>

An alias to -in