Remark line goes here MASS BOND ANGLE DIHE ca-ca-cg-n1 2 0.000 180.000 2.000 same as X -c1-ca-X , penalty score= 97.0 IMPROPER 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-cg 1.1 180.0 2.0 Using the default value NONBON