Force Field Parameters

The force field parameters must be placed in the file defined by the command READ_PRM_ASCII of the environment &PARAMETERS. This file can contain the directives defining the stretching, angle bending, proper and improper torsion, Lennard-Jones potential parameters. Each directive is terminated by the keyword END subsequent to the last line of input. The allowed commands are the followings:

BENDINGS, BOND, NONBONDED [MIXRULE, NOMIXRULE], TORSION [ PROPER, IMPROPER ]


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Subsections

procacci 2021-12-29