From: Vladimir Stegailov (
Date: Sat Aug 04 2018 - 07:10:18 CDT


please let me know of if it is possible to change (to increase)
the bounding box that VMD uses when it displays molden orbitals.

This bounding box cuts the isosurfaces.
It causes problems for visualizing diffusive orbitals.

As far as I understand (and have checked), the commands like

pbc set {10.0 10.0 10.0} -all

do not change this particular bounding box size.

The bounding box size is not defined in the molden file itself.
Presumably, VMD uses some guessing mechanism to set it?