SUBSYS

a subsystem: coordinates, topology, molecules and cell [Edit on GitHub]

Keywords

Keyword descriptions

SEED: integer = 12345

Usage: SEED {INTEGER} .. {INTEGER}

Initial seed for the (pseudo)random number generator for the Wiener process employed by the Langevin dynamics. Exactly 1 or 6 positive integer values are expected. A single value is replicated to fill up the full seed array with 6 numbers. [Edit on GitHub]