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XAJ.frcmod
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MASS
BOND
ANGLE
DIHE
nd-cc-os-ca 2 7.550 180.000 2.000 same as n2-c2-os-ca, penalty score=319.0
h5-cc-os-ca 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0
IMPROPER
cd-h4-cc-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (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-ca-ca-nd 1.1 180.0 2.0 Using the default value
ca-ca-ca-os 1.1 180.0 2.0 Using the default value
h5-nd-cc-os 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.5 (use general term))
c3-cc-cd-cd 1.1 180.0 2.0 Using the default value
c -cd-cc-na 1.1 180.0 2.0 Using the default value
cc-o -c -os 10.5 180.0 2.0 Same as X -X -c -o , penalty score= 24.5 (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)
NONBON