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) ca-ca-ca-nh 1.1 180.0 2.0 Using the default value ca-hn-nh-hn 1.1 180.0 2.0 Same as X -X -na-hn, penalty score= 41.2 (use general term)) NONBON