Multiwfn forum

sgugliel

Member

Registered: 2025-11-10

Posts: 1

electrostatic potential

Is it possible to obtain something like connolly surface from electrostatic potential, starting from a molden file? The molden file was generated from orca gbw file produced in a single point calculation.
thanks in advance
stefano

sobereva

Tian Lu (Multiwfn developer)

From: Athens, Greece

Registered: 2017-09-11

Posts: 2,144

Website

Re: electrostatic potential

Connolly surface is defined for molecular surface, it is not a general surface for real-space functions. You can study isosurfaces of ESP.