Essential Executable Commands

DFF includes 10 executable programs as follows:

• dffwin.exe - graphic user interface
• dffqmd.exe - quantum-mechanic-data generator
• dfffit.exe - fitting engine
• dffmm.exe - molecular mechanics jobs
• dffmd.exe - molecule dynamics jobs
• dffexp.exe - support of external simulation engines
• dffwfc.exe - Workflow controller
• dfflsv.exe - license server and utility functions
• dffjob.exe - Miscellany functionalities
• dffdb.exe - TEAMFF database specific functionalities

dffwin.exe is a wrapper to run Java based user interface, it does not take any input. the rest are:

• dffqmd.exe Commands
• dfffit.exe Commands
• dffmm.exe and dffmd.exe Commands
• dffexp.exe Commands
• dffwfc.exe Commands
• dfflsv.exe Commands
• dffjob.exe and dffdb.exe Commands
  • Model Commands
  • ForceField Commands
  • Database Commands
  • MFDFF commands