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Optional features of the force field

Description of the optional features of the force field begins with the line defining the type of additional potential features. These are:

Examples of .mmol files are included into moldb directory. For big molecules, procedure of writing .mmol files may be somewhat automatized by the utility makemol.


next up previous contents
Next: The main input file Up: Description of the molecular Previous: Dihedral angles   Contents
Alexander Lyubartsev 2015-02-06