VMD-L Mailing List
From: Mayne, Christopher G (cmayne2_at_illinois.edu)
Date: Mon Jul 21 2014 - 10:48:57 CDT
Flip the sign on the isosurface value (i.e. one isosurface is set to 0.01 while the other is -0.01).
On Jul 21, 2014, at 10:46 AM, Darrell Kuykendall wrote:
> Yeah. I had thought of that. Itís just that I canít seem to find the other phase among the orbital pulldown selections.
> On Jul 21, 2014, at 11:32 AM, Mayne, Christopher G <cmayne2_at_illinois.edu> wrote:
>> Taking a look at the tutorial and the graphical representations interface, I don't think that it's designed to show both lobes at the same time from a single representation. The representation is set to a specific isosurface (i.e., + or - phase when there is a node). To see both phases in the VMD window (a la figure 2) you can create two representations, one set to the + phase and the other to - phase; color by ColorID, setting one to 0-blue and the other to 1-red.
>> Christopher Mayne
>> On Jul 19, 2014, at 12:38 PM, Darrell Kuykendall wrote:
>>> Hi, all,
>>> Iím planning on using the VMD Quantum Chemistry Visualization Tutorial (http://www.ks.uiuc.edu/Training/Tutorials/vmd-qmvis/qmvis-tutorial.pdf) this fall in a course. However, orbitals are only rendering with single phases (e.g., only one lobe of p-orbital renders). Advice?
>>> Iím using the tutorial files provided at http://www.ks.uiuc.edu/Training/Tutorials/vmd-qmvis/files/ and the latest builds of both GAMESS and VMD for Mac OS X.9
>>> Thanks for any help!