Force Field generator

Usage

  1. Place the model in the "xyz" format in the "model.xyz" file.

  2. Set the dielectric constant of the medium in the second line in the "FF.cfg" file.

  3. Run calculation - "0.run.bat"

After completing the calculation a new Force Field will be placed in the FF\res\ForceField folder.

The geometry and charges of the model are in the res\A_PDC.mlm file.

The distortion energy are specified in the res\A_res.txt file.

 

Force Field   ⚬   System requirements   ⚬  Installation   ⚬  Usage   ⚬  Examples

 

 

 

 

 

Software for


Examples

 

Manual