Re: electrostatic potential

dummy@example.com (sobereva) — Mon, 10 Nov 2025 13:32:35 +0000

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

electrostatic potential

dummy@example.com (sgugliel) — Mon, 10 Nov 2025 12:17:19 +0000

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

Multiwfn forum / electrostatic potential

Re: electrostatic potential

electrostatic potential