[gmx-users] Dihedral angle restraints in NMR refinement

Chris Spronk C.Spronk at cmbi.kun.nl
Mon Sep 16 10:27:42 CEST 2002

Hi there,

I am trying to use GROMACS for NMR refinement purposes and am wondering 
if GROMACS has an option to include NMR derived dihedral angle 
restraints (similar to the distance restraints, with zero force between 
an upper and lower bound for the angle, a harmonic potential outside 
these bounds).

Thanx in advance


Chris Spronk
Centre for Molecular and Biomolecular Informatics
University of Nijmegen
Toernooiveld 1
NL-6500 GL Nijmegen
The Netherlands
fax  :	+31/+24/3652977
e-mail: C.Spronk at cmbi.kun.nl

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