Remark line goes here MASS BOND ANGLE DIHE IMPROPER ca-ca-ca-os 1.1 180.0 2.0 Using the default value ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) c3-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) c -ca-ca-ca 1.1 180.0 2.0 Using the default value ca-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) NONBON