Remark line goes here MASS BOND ANGLE DIHE nc-cd-ss-ca 2 3.200 180.000 2.000 same as n2-c2-ss-ca, penalty score=319.0 c3-cd-ss-ca 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0 IMPROPER ca-ca-ca-nc 1.1 180.0 2.0 Using the default value c3-nc-cd-ss 1.1 180.0 2.0 Using the default value c -c -n -c3 1.1 180.0 2.0 Using the default value n -n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c -c3-n -cc 1.1 180.0 2.0 Using the default value c3-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) cd-h4-cc-n 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term)) c -cc-cd-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 38.9 (use general term)) cd-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) ca-ca-ca-ss 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) NONBON