Remark line goes here MASS BOND ANGLE DIHE ca-cp-nb-ca 1 0.495 0.000 3.000 same as c2-ne-ca-ca, penalty score=622.0 cp-cp-nb-ca 1 0.495 0.000 3.000 same as c2-ne-ca-ca, penalty score=709.0 ca-ca-cg-ch 2 0.000 180.000 2.000 same as X -c1-ca-X , penalty score= 97.0 ca-ca-ch-cg 2 0.000 180.000 2.000 same as X -c1-ca-X , penalty score= 97.0 ca-ca-cg-c1 2 0.000 180.000 2.000 same as X -c1-ca-X , penalty score= 97.0 IMPROPER 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-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0) ca-h4-ca-nb 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-cg 1.1 180.0 2.0 Using the default value ca-ca-ca-ch 1.1 180.0 2.0 Using the default value c -ca-ca-ca 1.1 180.0 2.0 Using the default value ca-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0) c3-o -c -os 1.1 180.0 2.0 Same as c3-o -c -oh, penalty score= 8.5) NONBON