VMD-L Mailing List

From: Chang, Christopher (Christopher_Chang_at_nrel.gov)
Date: Fri May 13 2005 - 13:32:20 CDT

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Hi,

   Is there a simple command like "molinfo top get charge" available to get the total charge for a molecule, or "measure charge $selection" for a selection in VMD?

Thanks,

Chris

Christopher H. Chang, Ph.D.
Research Associate
National Renewable Energy Laboratory
1617 Cole Blvd., Mail Stop 1608
Golden, CO 80401
Phone (303) 275-3751
Fax (303) 275-4007

• Next message: Prasad S Garimella: "Open diff pdbs with diff # of atoms?"
• Previous message: John Stone: "Re: Buried Surface Area"
• Next in thread: Blake Charlebois: "RE: Total charge query?"
• Reply: Blake Charlebois: "RE: Total charge query?"
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