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[modeller_usage] weighting restraints
- To: <modeller_usage@listsrv.ucsf.edu>
- Subject: [modeller_usage] weighting restraints
- From: <meier AT lmb.uni-muenchen.de>
- Date: Wed, 05 May 2010 00:50:45 +0200
- Reply-to: meier AT lmb.uni-muenchen.de
Hi,
having multiple templates, I want to weight template based restraints down with respect to other (stereochemical) restraints.
Is it then more sensible to weight down the template based restraints (weight < 1, weight=1 for rest) or to weight up the other restraints (weight > 1, weight=1 for rest)? Does it make any difference for the (simulated annealing) optimization scheme (because the "scale" is changed)?
Thanks a lot for any hint
Armin Meier