Re: Multiple Harmonic Constraints

From: Sascha Tayefeh (sascha_at_pc.chemie.tu-darmstadt.de)
Date: Thu Jun 09 2005 - 08:28:52 CDT

• Next message: Axel Kohlmeyer: "Re: vmd-l: multiple automated calls to NAMD"
• Previous message: Sascha Tayefeh: "Multiple Harmonic Constraints"
• Maybe in reply to: Sascha Tayefeh: "Multiple Harmonic Constraints"
• Next in thread: nordgren_at_sas.upenn.edu: "Re: Multiple Harmonic Constraints"
• Reply: nordgren_at_sas.upenn.edu: "Re: Multiple Harmonic Constraints"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

  Hi!

  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
suggestions...

  Thanks again!

-- 
  Sascha Tayefeh <sascha_at_pc.chemie.tu-darmstadt.de>
  Dipl.-Biol, PhD-Student
  http://www.pc.chemie.tu-darmstadt.de/staff/sascha/
---
  Darmstadt University of Technology
  Physical Chemistry I

• text/x-vcard attachment: sascha.vcf

• Next message: Axel Kohlmeyer: "Re: vmd-l: multiple automated calls to NAMD"
• Previous message: Sascha Tayefeh: "Multiple Harmonic Constraints"
• Maybe in reply to: Sascha Tayefeh: "Multiple Harmonic Constraints"
• Next in thread: nordgren_at_sas.upenn.edu: "Re: Multiple Harmonic Constraints"
• Reply: nordgren_at_sas.upenn.edu: "Re: Multiple Harmonic Constraints"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:31 CST