Autoionize plugin problem

From: Gaurav Sharma (sharma_at_coe.neu.edu)
Date: Tue Dec 14 2004 - 12:52:03 CST

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Hi all,

I am having problem neutralizing the charges in my system using the autoionize plugin of vmd 1.8.2 on windows xp.

Initially the error was that the ions.top file was missing. So I renamed the top_all27_prot_lipid.inp file as ions.top and placed it in the autoionize plugin directory. After this the plugin seemed to be running fine (it calculated the total charge on the system, number of ions to be placed etc.) until in the end when the ionized file was being created it gave error messages : "unknown residue type SOD" and " unknown residue type CLA".

I checked the topology file and found that both SOD and CLA are defined in it. A similar email was posted on the list a few months back but met with no response.

I would really appreciate if someone can help me out with this.

Thanks
Gaurav

Gaurav Sharma
Computational BioNano Robotics Lab
Northeastern University
Boston, MA - 02115
Tel: 617-373-2970
http://www.bionano.neu.edu/

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