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Copy path28D.frcmod
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28D.frcmod
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MASS
BOND
ANGLE
cf-ce-na 65.490 120.270 same as ce-ce-na, penalty score= 0.8
DIHE
ca-ca-cf-ce 1 1.290 180.000 2.000 same as ca-ca-ce-ce, penalty score=298.0
cg-ce-na-cc 4 6.800 180.000 2.000 same as X -cc-na-X , penalty score=136.0
cg-ce-na-nc 4 6.800 180.000 2.000 same as X -cc-na-X , penalty score=136.0
na-ce-cg-n1 2 0.000 180.000 2.000 same as X -c1-ce-X , penalty score= 97.0
cf-ce-cg-n1 2 0.000 180.000 2.000 same as X -c1-ce-X , penalty score= 97.0
cf-ce-na-cc 1 0.728 180.000 2.000 same as ca-ce-na-cc, penalty score= 87.0
cf-ce-na-nc 4 6.800 180.000 2.000 same as X -cc-na-X , penalty score=136.0
ca-ca-cd-nc 4 4.000 180.000 -2.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.750 180.000 -3.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=780.0
ca-ca-cd-ca 1 0.805 180.000 2.000 same as ca-ca-ce-ca, penalty score=142.0
ca-ca-cf-ha 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=237.0
IMPROPER
cf-cg-ce-na 1.1 180.0 2.0 Using the default value
cc-ce-na-nc 1.1 180.0 2.0 Using the default value
h5-na-cc-nd 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.5 (use general term))
h5-nc-cd-nd 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.5 (use general term))
ca-ce-cf-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 46.8 (use general term))
ca-ca-ca-cf 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)
ca-ca-ca-na 1.1 180.0 2.0 Using the default value
ca-hn-na-nc 1.1 180.0 2.0 Same as X -X -na-hn, penalty score= 31.9 (use general term))
ca-ca-cd-nc 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-os 1.1 180.0 2.0 Using the default value
NONBON