SCALE_CHARGES

NAME
SCALE_CHARGES - Scale the total charge on the solute to zero

SYNOPSIS
SCALE_CHARGES nmol      $i_{1}~~i_{2}~~...i_{nmol}$

DESCRIPTION
If $Q$ is the excess charge on the solute, electro-neutrality is imposed by equally distributing $-Q$ charge over the atoms of $nmol$ disconnected molecules of solute specified by the indices $i_{1},...i_{nmol}$. Disconnected molecules are ordered according to the sequence given in the structured command JOIN.

EXAMPLES
SCALE_CHARGES 4 1 5 7 11
The excess charge is distributed over 4 molecules: the 1-st, the 5-th, the 7-th and the 11-th molecule as specified in the sequence give in JOIN.

WARNINGS
This command is active only if the solute topology and parameter list is actually computed and not read from a binary file (i.e. READ_TPGPRM in &PARAMETERS must be inactive).