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Copy path20A.frcmod
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20A.frcmod
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MASS
BOND
ANGLE
DIHE
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
ca-c3-ns-c 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
ns-c -ca-ca 4 8.490 180.000 2.000 same as n -c -ca-ca, penalty score= 0.0
ca-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
ca-ca-nu-c6 1 0.330 180.000 2.000 same as ca-ca-nu-c3, penalty score= 0.0
ca-ca-nu-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
ca-ca-cd-nc 4 4.000 180.000 -2.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.750 180.000 -3.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=780.0
ca-ca-cd-h4 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=232.0
c6-c6-nu-ca 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
h1-c6-nu-ca 1 0.420 0.000 3.000 same as h1-c3-nu-ca, penalty score= 0.0
c6-c6-c6-nu 1 0.670 0.000 1.000 same as c3-c3-c3-nu, penalty score= 0.0
hc-c6-c6-nu 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-c6-os 9 1.400 0.000 3.000 same as X -c3-c3-X , 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-c6 1 0.520 0.000 3.000 same as c3-c3-c3-c3, 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
h1-c6-os-c6 1 0.337 0.000 3.000 same as h1-c3-os-c3, penalty score= 0.0
hc-c6-c6-os 1 0.000 0.000 -3.000 same as hc-c3-c3-os
hc-c6-c6-os 1 0.250 0.000 1.000 same as hc-c3-c3-os, penalty score= 0.0
ca-c3-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -X , 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
c6-c6-nu-hn 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
h1-c6-nu-hn 6 0.000 0.000 2.000 same as X -c3-nh-X , 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
IMPROPER
ca-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -c3-ns-hn 1.1 180.0 2.0 Same as c -c3-n -hn, penalty score= 0.0)
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
c -ca-ca-ca 1.1 180.0 2.0 Using the default value
ca-h4-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.3 (use general term))
ca-na-ca-nb 1.1 180.0 2.0 Using the default value
c3-ca-na-nc 1.1 180.0 2.0 Using the default value
ca-ca-ca-cd 1.1 180.0 2.0 Using the default value
ca-h4-cd-nc 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
ca-ca-ca-nu 1.1 180.0 2.0 Using the default value
c6-ca-nu-hn 1.1 180.0 2.0 Using the default value
NONBON