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Energy

Compute the force field potential energy.


 Usage: ffxc Energy [-gh] [--ef1=-1] [--es1=1] files...
 Compute the force field potential energy.
      files...                  The atomic coordinate file in PDB or XYZ format.
      --ef1, --noElecFinal1=-1  Final no-electrostatics atom for 1st topology
      --es1, --noElecStart1=1   Starting no-electrostatics atom for 1st topology
  -g, --gradient                Print out atomic gradients as well as energy.
  -h, --help                    Print this help message.