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TIPnP Water

The TIPnP intermolecular water potentials are specified by the keyword TIP. n=1 through 5 are currently coded. For N water molecules the first N lines of the coords file are the coordinates of a reference origin in each of N rigid molecules, and the next N lines are angle-axis coordinates. The same convention is used in the output file lowest. The lowest minima are also dumped in xyz format in the file tip.xyz.