Tutorial-l Mailing List

From: Per Jr. Greisen (pgreisen_at_gmail.com)
Date: Fri Oct 26 2007 - 05:38:28 CDT

Hi,

I have a question to the tutorial on stretching alanine - in the smd.tcl,
the constraints are set to zero

set c1x 0.0
set c1y 0.0
set c1z 0.0

which are latter used in the method proc calcforces to determine the forces
on each atom. How are these constraints determined?

Any advice or help appreciated. Thanks in advance

Best regards
Per Jr. Greisen

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