mass NHHE 16.02270 ! extended atom nitrogen with two hydrogen residue NHH group atom N type=NHHE charge=0.00 end end presidue NHHL { link for all amino acids except proline } add bond -C +N add angle -CA -C +N add angle -O -C +N add improper -C -CA +N -O {planar -C} end presidue NHHP { link for proline } add bond -C +N add angle -CA -C +N add angle -O -C +N add dihedral -N -CA -C +N add improper -C -CA +N -O {planar -C} end residue ACE group atom CA type=CH3E charge=0.00 end atom C type=C charge=0.00 end atom O type=O charge=0.00 end bond C CA bond C O end presidue ACEL { link for all amino acids except proline } add bond -C +N add angle -CA -C +N add angle -O -C +N add angle -C +N +CA add angle -C +N +H add dihedral -C +N +CA +C add dihedral -CA -C +N +CA add improper -C -CA +N -O {planar -C} add improper +N -C +CA +H {planar +N} end presidue ACEP { link for proline } add bond -C +N add angle -CA -C +N add angle -O -C +N add angle -C +N +CA add angle -C +N +CD add dihedral -C +N +CA +C add dihedral -CA -C +N +CA add improper -C -CA +N -O {planar -C} add improper +N +CA +CD -C {planar +N} end