VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Nov 09 1999 - 21:59:58 CST

To update everyone on this:
  Kevin supplied me with two test files, and I have verified that
they do indeed crash VMD 1.3 on Linux. (I reinstalled VMD 1.3 on
a linux box here, and tested)

I don't know what is causing the crash on VMD 1.3 yet, but
I tested the same files on VMD 1.4b2 (released this afternoon)
and it did not crash for me.

Here is the successful output from VMD 1.4b2 running on linux:

  Info) Added new Atoms label WAT715:H2
  The first atom has been picked (this selection will move)
  Now pick the second atom (on the reference selection)
  Info) Added new Atoms label WAT715:H2
  You have selected molecules 1 and 0 to compare.
  RMSD between the heavy atoms of the molecules is: 0.266016
  To repeat calculation, select two more atoms
  To stop alignment, change mouse mode (eg, 'rotate' or press 'r')

We will see if we can find out what the real cause of this bug was
in VMD 1.3, just to make sure that its truly gone for the final
release of VMD 1.4, and not just "luck" that it didn't crash on me.

  John Stone
  vmd_at_ks.uiuc.edu

> I'm trying to get the rmsd between
> 2 pdb files. When I load in 2 pdb files,
> do fit-> two molecules -> heavy atoms
> and click on the 2 molecules, vmd crashes.
> I'm running vmd 1.3 on LINUX 2.3.12 redhat 5.2. Is this fixed
> in a later version of vmd? Also vmd crashes when
> I do 'set sel1 [atomselect 0 "backbone"]'
> in an attempt to later find the rmsd.
> Thanks.
> -Kevin
>
> =========================================================
> Kevin Sanbonmatsu
> Technical Staff Member
> Division of Applied Theoretical and Computational Physics
> Los Alamos National Laboratory 

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