[gmx-users] constrained minimization
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sunnytov at hotmail.com
Mon Sep 11 06:38:42 CEST 2006
Dear All
I just saw from the mailing list that David answered that the restrained
minimization can be done and it is different from the constrained
minimization.
For the torsional parameter optimization, I think I need to run
minimization after constraining torsion angles.
Does anyone know the way to constrain the torsion angle during
minimization?
Thank you in advance
Sunjoo
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