enery evaluation inside Tcl-Forces?

From: harish vashisth (harish.vashisth_at_gmail.com)
Date: Thu Dec 20 2007 - 10:14:48 CST

Hi all,
         I apologize for resending this query. Is it possible in TCL-forces
script to evaluate on-the-fly some kind of interaction energy between a
group of atoms? Let me elaborate a bit more---What I am thinking is to apply
some kind of force to certain atoms and observe suppose VDW interaction
energy with another group of atoms, and use it as a condition for making
any decision further. Therefore, I need some way to compute this interaction
energy inside TCL-FORCES script. Any help and ideas will do great.

Thanks and regards

Harish Vashisth
PhD Candidate & Research Fellow
Deptt. Of Chemical & Biological Engineering
Office: CAT-361, Drexel University
Mail: hl332_at_drexel.edu
Cell:   215-869-5978

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