| NAME
REDEFINE – Read solvent molecules |
| SYNOPSIS
REDEFINE unit_name |
| DESCRIPTION
This command is used for deleting the unit unit_name from the solute list and assigning it to the solvent molecules. As long as energies and properties are concerned, the unit unit_name will pertain to the solvent. |
EXAMPLES
&PARAMETERS READ_TPGPRM_BIN benz.prmtpg &END ... &SOLVENT REDEFINE po4 &ENDWe redefine the solute unit po4 as a solvent unit |