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JORGENSEN

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. 8.3 describes how the inter and intra-molecular Lennard-Jones parameters are read by ORAC .
WARNINGS
Experimental - Unsupported


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