[IMP-dev] CHARMM topology question

Hi,

I want to add bonds, angles and dihedrals to my structure. It has some missing atoms, but I don't want them there on purpose. When I create the topology, those atoms are automatically added to the structure. Is there a way to tell it not to add any missing atoms?

I use the following code:

IMP::atom::CHARMMParameters* ff = new IMP::atom::CHARMMParameters(topology_file_name, parameter_file_name); IMP::atom::CHARMMTopology* topology = ff->create_topology(mhd_); topology->setup_hierarchy(mhd_); IMP::ParticlesTemp bonds = topology->add_bonds(mhd_); IMP::ParticlesTemp angles = ff->create_angles(bonds); IMP::ParticlesTemp dihedrals = ff->create_dihedrals(bonds);

Thanks! Dina