VMD-L Mailing List

From: Shirley Li (li19104_at_yahoo.com)
Date: Thu May 04 2006 - 16:48:33 CDT

Dear VMD experts,
 
 I have a question about multiple structure superimposition. I have thousands of structures. I need to superimpose them n BATCH mode without the need to open VMD graphic interface. I would like the output of both the RMSDs and the coordinates after superimposition. In the superimposition, I want to exclude all hydrogen atoms.
 
 I wonder if anyone has a sample script to share with me.
 
 Your help will be greatly appreciated.
 
 Shirley
 
 
                
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