remark goes here MASS BOND ANGLE ca-c3-c2 64.101 111.090 Calculated with empirical approach DIHE ca-ca-ce-c2 1 6.650 180.000 2.000 same as X -c2-ce-X ca-ca-ce-ha 1 6.650 180.000 2.000 same as X -c2-ce-X IMPROPER ca-ca-ca-ce 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) c2-ca-ce-ha 1.1 180.0 2.0 Using default value c3-ce-c2-ha 1.1 180.0 2.0 Using default value NONBON