FORCEFIELD

Section can be repeated.

Specify information on the QM/MM forcefield [Edit on GitHub]

Subsections

• NONBONDED
• NONBONDED14

Keywords

• MULTIPLE_POTENTIAL

Keyword descriptions

MULTIPLE_POTENTIAL

Type: logical
Default: F
Lone keyword: T
Usage: MULTIPLE_POTENTIAL T

Description: Enables the possibility to define NONBONDED and NONBONDED14 as a sum of different kinds of potential. Useful for piecewise defined potentials. [Edit on GitHub]