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Copy pathX47.frcmod
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X47.frcmod
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MASS
BOND
ANGLE
DIHE
c3-c -ns-c5 1 0.910 180.000 -2.000 same as c3-c -ns-c3
c3-c -ns-c5 1 0.580 180.000 -1.000 same as c3-c -ns-c3
c3-c -ns-c5 1 0.930 0.000 3.000 same as c3-c -ns-c3, 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
c5-c5-c5-c5 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c5-c5-c5-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c5-c5-ns-c 1 1.150 180.000 1.000 same as c3-c3-ns-c , penalty score= 0.0
c5-c5-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
ns-c -c3-n 1 0.100 180.000 -1.000 same as n -c -c3-n
ns-c -c3-n 1 2.120 180.000 2.000 same as n -c -c3-n , penalty score= 0.0
c5-c5-c5-ns 1 0.230 180.000 2.000 same as c3-c3-c3-ns, penalty score= 0.0
hc-c5-c5-ns 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
o -c -ns-c5 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
c5-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-c5-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-ns-c 1 0.000 0.000 1.000 same as h1-c3-ns-c , penalty score= 0.0
h1-c5-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
hc-c5-c5-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
IMPROPER
cc-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
ca-ca-ca-n 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-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term))
c3-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -cd-cc-nc 1.1 180.0 2.0 Using the default value
cc-h4-cd-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
h5-na-cd-nc 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.5 (use general term))
c -c3-n -ca 1.1 180.0 2.0 Same as c2-c2-na-c3, penalty score=300.2)
c -c5-ns-hn 1.1 180.0 2.0 Same as c -c3-n -hn, penalty score= 0.0)
cd-cd-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0)
NONBON