VMD-L Mailing List

From: Timm Essigke (essigke_at_chemie.fu-berlin.de)
Date: Thu Aug 03 2000 - 13:17:18 CDT

Hi,

I really enjoyed the RMSD calculation/fitting feature in VMD 1.4 (Linux
version), but I am not able to get it working with 1.5.
I select e.g. Heavy (or whatever) and Molecule, click on Compute and get

> RMSD of two molecules based on non-hydrogen atoms
> Using the mouse, click on one atom of each of
> the two molecules you wish to compare.

in the log window and crosshairs. Clicking on atoms of two conformations
of a molecule gives no reaction of VMD (label, output etc.)

Am I doing something wrong or is it a bug in the new version?

Thanks,

Timm 

--
Timm Essigke
Freie Universitaet Berlin * Fachbereich Biologie, Chemie, Pharmazie * 
Institut fuer Chemie (Kristallographie) * Takustr. 6 * D-14195 Berlin *
essigke_at_chemie.fu-berlin.de * http://www.chemie.fu-berlin.de/~essigke *
Tel.: +49-30-838-54627 * Fax.: +49-30-838-53464