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Copy path22Q.frcmod
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22Q.frcmod
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MASS
BOND
ANGLE
cc-c2-sh 63.420 120.290 same as cc-c2-ss, penalty score= 1.5
DIHE
sh-c2-cc-nc 4 26.600 180.000 2.000 same as X -c2-ce-X , penalty score=136.0
sh-c2-cc-c 4 26.600 180.000 2.000 same as X -c2-ce-X , penalty score=136.0
cd-c -ns-c 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
o -c -ns-c 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
cc-c -ns-c 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
h4-c2-cc-nc 4 26.600 180.000 2.000 same as X -c2-ce-X , penalty score=136.0
h4-c2-cc-c 4 26.600 180.000 2.000 same as X -c2-ce-X , penalty score=136.0
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
cc-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
cd-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
IMPROPER
cc-h4-c2-sh 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 75.4 (use general term))
c -c3-cd-nc 1.1 180.0 2.0 Using the default value
c -c -ns-hn 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
cc-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
cd-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -c2-cc-nc 1.1 180.0 2.0 Using the default value
NONBON