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) c -ca-ca-ca 1.1 180.0 2.0 Using the default value ca-o -c -oh 1.1 180.0 2.0 Same as X -o -c -o , penalty score= 48.9 (use general term)) NONBON