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231.frcmod
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MASS
BOND
ANGLE
DIHE
ca-ca-cd-cc 1 3.770 180.000 2.000 same as ca-ca-ce-cc, penalty score=142.0
ca-ca-cd-nd 4 4.000 180.000 -2.000 same as ca-ce-ce-n2
ca-ca-cd-nd 1 0.750 180.000 -3.000 same as ca-ce-ce-n2
ca-ca-cd-nd 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=780.0
IMPROPER
h5-na-cc-nd 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.5 (use general term))
cc-cc-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0)
cd-h4-cc-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
ca-cc-cd-nd 1.1 180.0 2.0 Using the default value
ca-ca-ca-cd 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)
NONBON