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Copy pathXM1.frcmod
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XM1.frcmod
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MASS
BOND
ANGLE
DIHE
ca-ca-cc-cd 1 0.585 180.000 2.000 same as ca-ca-ce-c2, penalty score=223.0
ca-ca-cc-ha 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=232.0
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
ca-ca-nh-c6 1 0.753 180.000 2.000 same as ca-ca-nh-c3, penalty score= 0.0
n -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
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
c6-c6-n -c6 6 0.000 0.000 2.000 same as X -c3-n -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
h1-c6-n -c6 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c3-c -n -c6 1 1.410 180.000 -2.000 same as c3-c -n -c3
c3-c -n -c6 1 2.930 0.000 -1.000 same as c3-c -n -c3
c3-c -n -c6 1 0.500 0.000 3.000 same as c3-c -n -c3, penalty score= 0.0
h1-c6-c6-n 9 1.400 0.000 3.000 same as X -c3-c3-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
h1-c3-n8-hn 6 1.800 0.000 3.000 same as X -c3-n3-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-nb-ca-nh 1.1 180.0 2.0 Using the default value
ca-ca-ca-cc 1.1 180.0 2.0 Using the default value
ca-cd-cc-ha 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 38.9 (use general term))
cc-h4-cd-na 1.1 180.0 2.0 Same as X -X -ca-ha, penalty score= 67.2 (use general term))
ca-cd-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0)
ca-na-ca-nb 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))
c6-c6-nh-ca 1.1 180.0 2.0 Using the default value
c -c6-n -c6 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)
ca-ca-ca-ha 1.1 180.0 2.0 Using general improper torsional angle X- X-ca-ha, penalty score= 6.0)
NONBON