remark goes here MASS BOND ANGLE DIHE IMPROPER ca-ca-ca-nh 1.1 180.0 2.0 Using default value ca-ca-ca-ha 1.1 180.0 2.0 General improper torsional angle (2 general atom types) c3-ca-nh-hn 1.1 180.0 2.0 Using default value NONBON