VMD-L Mailing List

From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Sun Jun 02 2024 - 15:24:39 CDT

Hi Jim,

Are you making an electrostatic potential isosurface? In that case, you usually make two isosurfaces, lets say one at +1V and one at -1V. If you are mapping electrostatic potential onto density, positive and negative is done by default, since you are coloring a density map by an electrostatic map. Doing this from memory, I think you make a density isosurface, and color by the ESP map. If you want to know the colormap range, you switch to one of the other representation tabs, and set the minimum and maximum values.

-Josh

From: <owner-vmd-l_at_ks.uiuc.edu> on behalf of "jimkress_58_at_kressworks.org" <jimkress_58_at_kressworks.org>
Date: Sunday, June 2, 2024 at 2:55 AM
To: "vmd-l_at_ks.uiuc.edu" <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: Display both-signed portions of isosurface

I am mapping ESP data onto a density isosurface. I can get one ESP isosurface value (the positive) onto the density. However, I cannot figure out how to get both the positive and negative values of the ESP to be displayed at the same time on the density isosurface.

I cannot find information in the manual to do this. How can this be done with VMD?

Thanks for any help.

Jim Kress

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