Tcl-forces query

From: Harish Lnu (hl332_at_drexel.edu)
Date: Wed Dec 19 2007 - 10:23:01 CST

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Hi all,
        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

-------------------------------------------------
Harish Vashisth (Ph.D Candidate)
CAT-361,Chemical & Biological Eng.
Drexel University, Philadelphia, PA
office: 215-895-5823

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