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group_restraints() -- create a new set of group restraints

classes = <str:1>   file of atom classes
parameters = <str:1>   file of group restraint parameters

Description:
This creates a new set of group restraints. The set is initialized by reading in classes, a file containing a classification of residue:atom pairs into groups. If the parameters argument is also given, this is used to read in a file of restraint parameters, using group_restraints.append().

Example: examples/commands/read_atom_classes.py


# Example for: group_restraints()

# This will read an atom classification for non-bonded statistical potentials
# of mean force.

gprsr = group_restraints(classes='$(LIB)/atmcls-melo.lib')



Ben Webb 2005-04-21