lindahl at stanford.edu
Sat Jun 22 01:06:42 CEST 2002
Thomas Huber wrote:
> Hallo gmx-users,
> I'm modelling a small protein by involving NMR-data with Gromacs 3.1.
> Calculations with distance restraints are working fine, but....
> Is it possible to consider dihedral restraints for the backbone in the
Well, in theory you could of course increase the force constant
significantly, but that might disrupt other parts of the structure.
An easier solution would probably be to add distance restraints between
arbitrary atoms (e.g. atom 1 and atom 4 in a dihedral), just like you do
for NMR restraints!
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