Remark line goes here MASS BOND ANGLE DIHE cp-cp-nb-ca 1 0.870 180.000 2.000 same as ca-ca-ne-c2, penalty score=709.0 ca-cp-nb-ca 1 0.870 180.000 2.000 same as ca-ca-ne-c2, penalty score=622.0 IMPROPER c -ca-ca-ca 1.1 180.0 2.0 Using the default value ca-cp-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) ca-ca-cp-cp 1.1 180.0 2.0 Using the default value ca-cp-cp-nb 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-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0) ca-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term)) NONBON