COORDINATES

NAME
COORDINATES - Define the coordinates of a solvent molecule

SYNOPSIS
COORDINATES filename

DESCRIPTION
Read the coordinates of the solvent molecule (in PDB format) from file filename.

EXAMPLES

 
&SETUP
   CRYSTAL  20.00  20.00  20.00  90.0  90.0  90.0
&END
&SOLVENT
   CELL SC 
   INSERT 1.5
   COORDINATES  solvent.pdb
   GENERATE RANDOMIZE  4 4 4
&END

In this example the coordinates of the solvent are read in from the file solvent.pdb (see &SOLVENT). This input would produce 64 solvent molecules in a box of $20\times 20\times 20$ Å$^{3}$. For generating solvent in presence of the solute see COORDINATES(&SOLUTE)