FORCEFIELD

Set different forcefield characteristics. Two options are possible UFF (Universal ForceField) or FFDS (reading forcefields paramenter from independet input file. The type of each atom should be specified on the corresponding line.

FF=

Specify the type of force field. It can be equal to either UFF or directly set the Forcefield type within the FFDS Forcefields options. Same name for Forcefield include in FFDS file has to be written. For instance, OPLS-AA, AMBER99SB, etc. Look up in FFDS file and copy same name in FF=.