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Copy pathX6S.frcmod
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X6S.frcmod
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MASS
BOND
ANGLE
DIHE
c3-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
c3-c3-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
os-c -ns-c3 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
os-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
o -c -ns-c3 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-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
IMPROPER
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
c3-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
ns-o -c -os 10.5 180.0 2.0 Same as X -X -c -o , penalty score= 6.0 (use general term))
ca-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-ca 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score= 31.1)
c -c3-ns-hn 1.1 180.0 2.0 Same as c -c3-n -hn, penalty score= 0.0)
NONBON