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Copy path22K.frcmod
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22K.frcmod
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MASS
BOND
ANGLE
DIHE
na-cd-nv-hn 4 4.200 180.000 2.000 same as X -cd-nh-X , penalty score= 0.0
c6-c6-cc-nd 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0
hc-c6-cc-nd 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0
c6-c6-c6-cc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
cc-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-cc-cc 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0
hc-c6-cc-cc 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score= 0.0
cc-cd-nv-hn 4 4.200 180.000 2.000 same as X -cd-nh-X , penalty score= 0.0
c6-c6-c6-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
c6-c6-c6-n8 1 0.520 0.000 3.000 same as c3-c3-c3-n8, penalty score= 0.0
c6-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-c6-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c6-c6-n8-hn 1 0.030 180.000 3.000 same as c3-c3-n8-hn, penalty score= 0.0
hc-c6-c6-n8 1 0.050 0.000 3.000 same as hc-c3-c3-n8, penalty score= 0.0
hc-c6-c6-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
h1-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-n8-hn 6 1.800 0.000 3.000 same as X -c3-n3-X , penalty score= 0.0
IMPROPER
cc-cc-cc-cd 1.1 180.0 2.0 Using the default value
cc-na-cd-nd 1.1 180.0 2.0 Using the default value
cd-cd-na-nd 1.1 180.0 2.0 Using the default value
cc-h4-cc-nd 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
c6-cc-cc-nd 1.1 180.0 2.0 Using the default value
br-cc-cc-cd 1.1 180.0 2.0 Using the default value
cc-na-cd-nv 1.1 180.0 2.0 Using the default value
cd-hn-nv-hn 1.1 180.0 2.0 Using the default value
c3-cd-na-nd 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))
NONBON