Tag: MEPS

1 2298  1 Comment on Plotting molecular electrostatic potential surfaces (MEPS) with ORCA
Posted in Notekeeping ORCA

Plotting molecular electrostatic potential surfaces (MEPS) with ORCA

The orca_vpot program calculates the electrostatic potential for a set of points provided by the user. But it can be boring or hard. here is how you can do it.