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Copy pathXD4.frcmod
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XD4.frcmod
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MASS
BOND
ANGLE
DIHE
o -c -os-c5 1 2.700 180.000 -2.000 same as o -c -os-c3
o -c -os-c5 1 1.400 180.000 1.000 same as o -c -os-c3, penalty score= 0.0
c5-c5-os-c 1 0.383 0.000 -3.000 same as c3-c3-os-c
c5-c5-os-c 1 0.800 180.000 1.000 same as c3-c3-os-c , penalty score= 0.0
h1-c5-os-c 3 1.150 0.000 3.000 same as X -c3-os-X , penalty score= 0.0
ca-c -os-c5 1 3.670 180.000 -2.000 same as ca-c -os-c3
ca-c -os-c5 1 0.310 0.000 -3.000 same as ca-c -os-c3
ca-c -os-c5 1 1.600 180.000 1.000 same as ca-c -os-c3, penalty score= 0.0
ca-ca-nv-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
c5-c5-c5-os 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
hc-c5-c5-os 1 0.000 0.000 -3.000 same as hc-c3-c3-os
hc-c5-c5-os 1 0.250 0.000 1.000 same as hc-c3-c3-os, penalty score= 0.0
c3-c5-c5-os 9 1.400 0.000 3.000 same as X -c3-c3-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
hc-c3-c5-c5 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c3-c5-c5-c5 1 0.520 0.000 3.000 same as c3-c3-c3-c3, penalty score= 0.0
hc-c3-c5-c3 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
c3-c5-c5-c3 1 0.520 0.000 3.000 same as c3-c3-c3-c3, 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
c3-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-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
c3-c5-c5-hc 1 0.130 0.000 3.000 same as c3-c3-c3-hc, penalty score= 0.0
IMPROPER
ca-o -c -os 10.5 180.0 2.0 Same as X -X -c -o , penalty score= 52.6 (use general term))
c -ca-ca-ca 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-ca-ca-nv 1.1 180.0 2.0 Using the default value
ca-hn-nv-hn 1.1 180.0 2.0 Using the default value
NONBON