Re: Multiple Harmonic Constraints

From: Sascha Tayefeh (
Date: Thu Jun 09 2005 - 08:28:52 CDT


  Maybe I need to add an example to my previouse request to make things
clearer. What I want to do is something like this:

All Protein-Backbone harmonically const. with factor 10x
All Protein-Non-Backbone harmonically const. with factor 5x
Some further harmonically constr. with factor 2x

  I know how to create my PDBs and how to make the section. I also know
how to apply *one* of those constr. mentioned above, eg:

constraints on
consexp 10
conskfile ./data/sys7_rest_1b.pdb
consref ./data/sys7_rest_1b.pdb
conskcol B
selectConstraints on
selectConstrX off
selectConstrY off
selectConstrZ on

What I don't know is how to add *all* of those constr. *simultanuously*.

P.S. I didn't quite get the idea on how to respond to an e-mail in a
mailing-list, so I just added a postfix "Re: " to the subject. If this
does not follow up the original message, I would very appreciate any

  Thanks again!

  Sascha Tayefeh <>
  Dipl.-Biol, PhD-Student
  Darmstadt University of Technology
  Physical Chemistry I

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