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Copy pathXDD.frcmod
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XDD.frcmod
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MASS
BOND
ANGLE
DIHE
c3-c -n -c5 1 1.410 180.000 -2.000 same as c3-c -n -c3
c3-c -n -c5 1 2.930 0.000 -1.000 same as c3-c -n -c3
c3-c -n -c5 1 0.500 0.000 3.000 same as c3-c -n -c3, 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-n8 1 0.520 0.000 3.000 same as c3-c3-c3-n8, 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
c5-c5-n -c 1 0.650 180.000 -4.000 same as c3-c3-n -c
c5-c5-n -c 1 0.030 180.000 -3.000 same as c3-c3-n -c
c5-c5-n -c 1 2.260 0.000 1.000 same as c3-c3-n -c , penalty score= 0.0
c5-c5-n -c3 6 0.000 0.000 2.000 same as X -c3-n -X , 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
c5-c5-n8-hn 1 0.030 180.000 3.000 same as c3-c3-n8-hn, penalty score= 0.0
c5-c5-c5-n 1 0.100 0.000 3.000 same as c3-c3-c3-n , 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
n -c5-c5-n8 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-c5-n 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
hc-c5-c5-n8 1 0.050 0.000 3.000 same as hc-c3-c3-n8, penalty score= 0.0
nb-ca-nv-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
hc-c5-c5-n 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
hc-c5-c5-hc 1 0.120 0.000 3.000 same as hc-c3-c3-hc, penalty score= 0.0
h1-c5-c5-n8 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c5-n -c 1 0.000 180.000 2.000 same as h1-c3-n -c , penalty score= 0.0
h1-c5-n -c3 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
h1-c5-n8-hn 6 1.800 0.000 3.000 same as X -c3-n3-X , penalty score= 0.0
IMPROPER
h5-na-cc-nd 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.5 (use general term))
ca-na-ca-nb 1.1 180.0 2.0 Using the default value
c3-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c3-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0)
ca-ca-ca-nd 1.1 180.0 2.0 Using the default value
ca-nb-ca-nv 1.1 180.0 2.0 Using the default value
h5-nb-ca-nb 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 44.6 (use general term))
c -c3-n -c5 1.1 180.0 2.0 Same as X -c3-n -c3, penalty score= 3.0 (use general term))
c3-ca-na-cc 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