P Pseudo_atom_index Pseudo_atom_type Numb_real_atoms Real_atom_indices
These parameters encode the pseudo atom information as given in Section 5.3.2. Pseudo_atom_index is the atom index, which should be a number between NATM+1 and NATM+NPSEUDO, where NATM is the number of real atoms in the model, and NPSEUDO the number of pseudo atoms. Pseudo_atom_type is the numerical pseudo atom type, as given in Table B.3. The pseudo atom is defined as an average of Numb_real_atoms, of indices Real_atom_indices. For example,
P 144 1 3 120 121 122creates a pseudo atom at index 144, which is a gravity center of the 3 atoms 120, 121 and 122.
Automatic builds 2017-07-19