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Copy pathXBD.frcmod
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XBD.frcmod
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MASS
BOND
ANGLE
DIHE
ca-ca-nh-c6 1 0.753 180.000 2.000 same as ca-ca-nh-c3, penalty score= 0.0
c6-c6-nh-ca 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
h1-c6-nh-ca 1 0.332 0.000 2.000 same as h1-c3-nh-ca, penalty score= 0.0
nb-ca-nu-ca 4 4.200 180.000 2.000 same as X -ca-nh-X , penalty score= 0.0
n3-c6-c6-nh 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-c6-nh 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
h1-c6-c6-n3 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c6-c6-nh-c6 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
h1-c6-nh-c6 6 0.000 0.000 2.000 same as X -c3-nh-X , penalty score= 0.0
h1-c3-n3-c6 1 0.225 0.000 3.000 same as h1-c3-n3-c3, penalty score= 0.0
c6-c6-n3-c6 1 0.730 0.000 3.000 same as c3-c3-n3-c3, penalty score= 0.0
h1-c6-n3-c6 1 0.225 0.000 3.000 same as h1-c3-n3-c3, penalty score= 0.0
c6-c6-n3-c3 1 0.730 0.000 3.000 same as c3-c3-n3-c3, penalty score= 0.0
h1-c6-n3-c3 1 0.225 0.000 3.000 same as h1-c3-n3-c3, penalty score= 0.0
nb-ca-nu-hn 4 4.200 180.000 2.000 same as X -ca-nh-X , 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
h1-c6-c6-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
IMPROPER
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-nu-hn 1.1 180.0 2.0 Using the default value
ca-ca-ca-nh 1.1 180.0 2.0 Using the default value
nb-nb-ca-nu 1.1 180.0 2.0 Using the default value
ca-ca-ca-nu 1.1 180.0 2.0 Using the default value
c6-c6-nh-ca 1.1 180.0 2.0 Using the default value
ca-na-ca-nb 1.1 180.0 2.0 Using the default value
ca-ca-ca-n 1.1 180.0 2.0 Using the default value
c -c3-n -ca 1.1 180.0 2.0 Using the default value
ca-n -c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
ca-ca-ca-os 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-ca-ca-na 1.1 180.0 2.0 Using the default value
c -ca-ca-ca 1.1 180.0 2.0 Using the default value
NONBON