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Copy pathXGC.frcmod
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XGC.frcmod
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MASS
BOND
ANGLE
DIHE
c -c3-n8-hn 6 1.800 0.000 3.000 same as X -c3-n3-X , penalty score= 0.0
c -ns-sy-ca 6 6.600 180.000 2.000 same as X -n -sy-X , penalty score= 0.0
c -ns-sy-o 6 6.600 180.000 2.000 same as X -n -sy-X , penalty score= 0.0
c3-c -ns-sy 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
c3-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
o -c -ns-sy 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
o -c -ns-hn 1 2.500 180.000 -2.000 same as o -c -n -hn
o -c -ns-hn 1 2.000 0.000 1.000 same as o -c -n -hn, penalty score= 0.0
h1-c3-n8-hn 6 1.800 0.000 3.000 same as X -c3-n3-X , penalty score= 0.0
hn-ns-sy-ca 6 6.600 180.000 2.000 same as X -n -sy-X , penalty score= 0.0
hn-ns-sy-o 6 6.600 180.000 2.000 same as X -n -sy-X , penalty score= 0.0
IMPROPER
c3-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
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-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
ca-nb-ca-os 1.1 180.0 2.0 Using the default value
cp-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term))
ca-ca-ca-sy 1.1 180.0 2.0 Using the default value
ca-ca-cp-cp 1.1 180.0 2.0 Using the default value
c -hn-ns-sy 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
NONBON