remark goes here MASS BOND ANGLE DIHE n1-cg-ca-ca 1 0.000 180.000 2.000 same as X -c1-ca-X IMPROPER ca-ca-ca-cg 1.1 180.0 2.0 Using default value ca-nb-ca-nh 1.1 180.0 2.0 Using default value ca-hn-nh-hn 1.1 180.0 2.0 Using default value ca-nb-ca-sh 1.1 180.0 2.0 Using default value NONBON