INSERT

NAME
INSERT - Insert solute molecules in the solvent

SYNOPSIS
INSERT   radius

DESCRIPTION
This command is designed to insert solute molecules in a simulation box containing solvent molecules. The solvent molecules which overlap with the solute are discarded. ORAC  assumes that two molecules overlap if their distance is less than the sum of their respective Lennard-Jones radii multiplied by radius. There is no optimal value for $radius$, however reasonable values are within 0.6 and 0.8.

EXAMPLES
INSERT 0.6

WARNINGS
This command has no action if CONTROL in &RUN is different from zero, i.e. if the system coordinates are read from a restart file (see RESTART in &INOUT).