remark goes here MASS BOND ANGLE na-cc-ca 67.263 113.605 Calculated with empirical approach na-c3-ca 65.835 112.980 Calculated with empirical approach cp-ca-c 64.600 120.140 same as c -ca-ca DIHE nd-cc-ca-ca 1 2.550 180.000 2.000 same as X -c2-ca-X na-cc-ca-ca 1 2.550 180.000 2.000 same as X -c2-ca-X IMPROPER ca-ca-ca-ha 1.1 180.0 2.0 General improper torsional angle (2 general atom types) ca-ca-ca-nd 1.1 180.0 2.0 Using default value ca-ca-ca-na 1.1 180.0 2.0 Using default value c3-ca-na-cc 1.1 180.0 2.0 Using default value ca-na-cc-nd 1.1 180.0 2.0 Using default value ca-ca-ca-cc 1.1 180.0 2.0 Using default value c3-na-cc-nd 1.1 180.0 2.0 Using default value ca-cp-ca-ha 1.1 180.0 2.0 General improper torsional angle (2 general atom types) ca-ca-cp-cp 1.1 180.0 2.0 Using default value c -ca-ca-cp 1.1 180.0 2.0 Using default value ca-o -c -o 1.1 180.0 2.0 General improper torsional angle (1 general atom type) NONBON