- NAME
JORGENSEN - Allow Jorgensen-type interaction potentials.
- SYNOPSIS
JORGENSEN
- DESCRIPTION
If the system is composed of solute molecules of
the same type it is sometime useful to use different interaction
parameters for intermolecular and intramolecular interactions. The
command JORGENSEN is designed to handle this situation. Sec.
10.3 describes how the inter and intra-molecular
Lennard-Jones parameters are read by ORAC .
- WARNINGS
Experimental - Unsupported
procacci
2021-12-29
