Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

POTWRT

In an ESP calculation, write out surface points and electrostatic potential values to |$<\! $|filename|$\! >$|.esp in the format:

Line 1    : Number of points

Line2 on:  Potential (volts), x, y, z coordinate (in Angstroms)  (4 numbers)  Format: “1x,4e16.7”