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XGQ.frcmod
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MASS
BOND
ANGLE
DIHE
ca-ca-cf-ce 1 1.290 180.000 2.000 same as ca-ca-ce-ce, penalty score=298.0
ca-ca-ce-cf 1 0.585 180.000 2.000 same as ca-ca-ce-c2, penalty score= 87.0
ca-ca-ce-ha 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=237.0
ca-ca-cf-ha 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=237.0
IMPROPER
ca-cf-ce-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 46.8 (use general term))
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
ca-ce-cf-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 46.8 (use general term))
c -ca-ca-ca 1.1 180.0 2.0 Using the default value
ca-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0)
ca-ca-ca-oh 1.1 180.0 2.0 Using the default value
ca-ca-ca-ce 1.1 180.0 2.0 Using the default value
ca-ca-ca-cf 1.1 180.0 2.0 Using the default value
NONBON