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Copy pathX45.frcmod
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X45.frcmod
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MASS
BOND
ANGLE
DIHE
n -c -c5-n2 6 0.000 180.000 2.000 same as X -c -c3-X , penalty score= 0.0
o -c -c5-n2 6 0.000 180.000 2.000 same as X -c -c3-X , penalty score= 0.0
n2-c5-ca-ca 6 0.000 0.000 2.000 same as X -c3-ca-X , penalty score= 0.0
c -c5-ca-ca 6 0.000 0.000 2.000 same as X -c3-ca-X , penalty score= 0.0
ca-c5-ca-ca 1 0.000 180.000 2.000 same as ca-c3-ca-ca, penalty score= 0.0
n -c -c5-ca 6 0.000 180.000 2.000 same as X -c -c3-X , penalty score= 0.0
o -c -c5-ca 6 0.000 180.000 2.000 same as X -c -c3-X , penalty score= 0.0
c5-c -n -c2 1 0.770 180.000 1.000 same as c3-c -n -c2, penalty score= 0.0
ca-c5-n2-c2 6 0.000 0.000 3.000 same as X -c3-n2-X , penalty score= 0.0
c -c5-n2-c2 6 0.000 0.000 3.000 same as X -c3-n2-X , penalty score= 0.0
n -c2-nv-hn 4 2.700 180.000 2.000 same as X -c2-nh-X , penalty score= 0.0
n2-c2-nv-hn 4 2.700 180.000 2.000 same as X -c2-nh-X , penalty score= 0.0
c5-c -n -c3 1 1.410 180.000 -2.000 same as c3-c -n -c3
c5-c -n -c3 1 2.930 0.000 -1.000 same as c3-c -n -c3
c5-c -n -c3 1 0.500 0.000 3.000 same as c3-c -n -c3, penalty score= 0.0
IMPROPER
c -c2-n -c3 1.1 180.0 2.0 Same as c2-c2-na-c3, penalty score=269.1)
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
c2-hn-nv-hn 1.1 180.0 2.0 Using the default value
c5-ca-ca-ca 1.1 180.0 2.0 Using the default value
ca-ca-ca-os 1.1 180.0 2.0 Using the default value
c5-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
n -n2-c2-nv 1.1 180.0 2.0 Using the default value
ca-cp-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
ca-ca-cp-cp 1.1 180.0 2.0 Using the default value
ca-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term))
cp-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term))
NONBON