Remark line goes here MASS BOND ANGLE DIHE IMPROPER c3-ca-ca-nb 1.1 180.0 2.0 Using the default value nb-nb-ca-nh 1.1 180.0 2.0 Using the default value ca-nb-ca-os 1.1 180.0 2.0 Using the default value n -o -c -os 1.1 180.0 2.0 Using the default value c -c3-n -c3 1.1 180.0 2.0 Using general improper torsional angle X-c3- n-c3, penalty score= 3.0) c3-c3-nh-ca 1.1 180.0 2.0 Using the default value NONBON