data_cns_mtf

_cns_mtf.title
; FILENAME="axis2.mtf"
  file toppar/protein.link

  this is a macro to define standard protein peptide bonds
  and termini to generate a protein sequence.
  DATE:10-Dec-2010  13:22:59       created by user: roberto
  VERSION:1.21
;

loop_
_cns_mtf_atom.id
_cns_mtf_atom.segment_id
_cns_mtf_atom.residue_id
_cns_mtf_atom.residue_name
_cns_mtf_atom.atom_name
_cns_mtf_atom.chemical_type
_cns_mtf_atom.charge
_cns_mtf_atom.atom_mass
1 ' ' '901' 'ANI' 'X' 'XXX' 0.00000 10.0000
2 ' ' '901' 'ANI' 'Y' 'YYY' 0.00000 10.0000
3 ' ' '901' 'ANI' 'Z' 'ZZZ' 0.00000 10.0000
4 ' ' '901' 'ANI' 'OO' 'OOO' 0.00000 10.0000
-1 ' ' ' ' ' ' ' ' ' ' -1.00000 -1.00000

loop_
_cns_mtf_bond.id[1]
_cns_mtf_bond.id[2]
4 1
4 2
4 3
-1 -1

loop_
_cns_mtf_angle.id[1]
_cns_mtf_angle.id[2]
_cns_mtf_angle.id[3]
1 4 2
1 4 3
2 4 3
-1 -1 -1

loop_
_cns_mtf_dihedral.id[1]
_cns_mtf_dihedral.id[2]
_cns_mtf_dihedral.id[3]
_cns_mtf_dihedral.id[4]
-1 -1 -1 -1

loop_
_cns_mtf_improper.id[1]
_cns_mtf_improper.id[2]
_cns_mtf_improper.id[3]
_cns_mtf_improper.id[4]
-1 -1 -1 -1

loop_
_cns_mtf_explicit_nonbonded_exclusion.inb
-1

loop_
_cns_mtf_explicit_nonbonded_exclusion.iblo
0
0
0
0
-1

loop_
_cns_mtf_group_linked_list.first_atom_id
0
-1