The environment includes commands which define the type of simulation
that is to be carried out. In particular, commands are available to
run steepest descent energy minimization, and molecular dynamics
simulations in various ensembles. The environment &SIMULATION
allows the following commands:
ANDERSEN, ANNEALING, BUSSI, ISEED, ISOSTRESS, ISOSTRESSXY, MINIMIZE, MDSIM, SCALE,
STRESS, TEMPERATURE, WRITE_PRESSURE
Subsections
procacci
2021-12-29
