Script for calculating energy of a water molecule

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 in thread: John Stone: "Re: vmd-l: Script for calculating energy of a water molecule"
• Reply: John Stone: "Re: vmd-l: Script for calculating energy of a water molecule"
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