VMD-L Mailing List
From: Jindal Shah (jindal.shah_at_gmail.com)
Date: Wed Aug 17 2005 - 11:41:23 CDT
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Hello All,
Here is another request for script. I would like to calculate energy of some
of the water molecules in the vicinity of a protein for chemical potential
calculations.
Would anybody like to share the script? I am writing a fortran code that
does that (not familiar with tcl yet).
Thank you very much.
Jindal
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- Next message: Robert Brunner: "New BioCoRE server released"
- Previous message: Vlad Cojocaru: "overlaying more than 2 molecules"
- In reply to: Marc Q. Ma: "scripts for binding free energy calculation using SMD and Jarzynski's equality"
- Next in thread: John Stone: "Re: Script for calculating energy of a water molecule"
- Reply: John Stone: "Re: Script for calculating energy of a water molecule"
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