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Copy pathXLC.frcmod
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XLC.frcmod
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MASS
BOND
ANGLE
DIHE
o -c -ns-ca 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
ca-ca-ns-hn 4 1.800 180.000 2.000 same as X -ca-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
cc-c -ns-ca 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
c -cc-ss-cc 2 1.000 180.000 -2.000 same as c2-c2-ss-cc
c -cc-ss-cc 1 0.920 180.000 -3.000 same as c2-c2-ss-cc
c -cc-ss-cc 1 1.200 180.000 1.000 same as c2-c2-ss-cc, penalty score=319.0
h4-cc-ss-cc 2 2.200 180.000 2.000 same as X -c2-ss-X , penalty score=232.0
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
n3-c6-c6-n3 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-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
h1-c3-n3-c6 1 0.225 0.000 3.000 same as h1-c3-n3-c3, 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-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
cc-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -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-ns 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)
c -ca-ns-hn 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
ca-ns-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 Using the default value
cc-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -cd-cc-ss 1.1 180.0 2.0 Using the default value
cd-h4-cc-ss 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
c3-cc-cd-cd 1.1 180.0 2.0 Using the default value
cc-cd-cd-cl 1.1 180.0 2.0 Using the default value
NONBON