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Copy pathXIG.frcmod
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XIG.frcmod
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MASS
BOND
ANGLE
DIHE
c6-c6-n -c3 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
ca-c6-n -c3 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
h1-c6-n -c3 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c6-c6-c6-n 1 0.100 0.000 3.000 same as c3-c3-c3-n , penalty score= 0.0
hc-c6-c6-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
n -c6-ca-ca 6 0.000 0.000 2.000 same as X -c3-ca-X , penalty score= 0.0
ca-c -n -c6 1 2.180 180.000 -2.000 same as ca-c -n -c3
ca-c -n -c6 1 0.410 0.000 -3.000 same as ca-c -n -c3
ca-c -n -c6 1 4.820 0.000 1.000 same as ca-c -n -c3, 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
c6-c6-ca-ca 1 0.240 180.000 2.000 same as c3-c3-ca-ca, penalty score= 0.0
c6-c6-c6-ca 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
ca-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-n -c 1 0.650 180.000 -4.000 same as c3-c3-n -c
c6-c6-n -c 1 0.030 180.000 -3.000 same as c3-c3-n -c
c6-c6-n -c 1 2.260 0.000 1.000 same as c3-c3-n -c , penalty score= 0.0
ca-c6-n -c 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
h1-c6-n -c 1 0.000 180.000 2.000 same as h1-c3-n -c , 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
h1-c6-c6-hc 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-ca-ca 6 0.000 0.000 2.000 same as X -c3-ca-X , 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
hc-c6-ca-ca 1 0.000 0.000 1.000 same as hc-c3-ca-ca, penalty score= 0.0
IMPROPER
ca-ca-ca-os 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-cp-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
ca-ca-cp-cp 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score=327.0)
c -c3-n -c6 1.1 180.0 2.0 Using the default value
c6-ca-ca-ca 1.1 180.0 2.0 Same as c3-ca-ca-ca, penalty score= 0.0)
ca-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -ca-ca-ca 1.1 180.0 2.0 Same as c2-ca-ca-ca, penalty score= 36.1)
ca-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0)
NONBON