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Copy path29F.frcmod
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29F.frcmod
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MASS
BOND
ANGLE
DIHE
ns-c -ca-ca 4 8.490 180.000 2.000 same as n -c -ca-ca, penalty score= 0.0
ca-ca-cd-ns 4 2.800 180.000 2.000 same as X -c2-ca-X , penalty score=232.0
ca-ca-cd-nc 4 4.000 180.000 -2.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.750 180.000 -3.000 same as ca-ce-ce-n2
ca-ca-cd-nc 1 0.820 180.000 1.000 same as ca-ce-ce-n2, penalty score=780.0
o -c -ns-cd 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
ca-c -ns-cd 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
nc-cd-ns-c 4 6.600 180.000 2.000 same as X -n -cd-X , penalty score= 0.0
ca-cd-ns-c 4 6.600 180.000 2.000 same as X -n -cd-X , penalty score= 0.0
nc-cd-ns-hn 4 6.600 180.000 2.000 same as X -n -cd-X , penalty score= 0.0
ca-cd-ns-hn 4 6.600 180.000 2.000 same as X -n -cd-X , 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
IMPROPER
c -cd-ns-hn 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
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-cd 1.1 180.0 2.0 Using the default value
ca-nc-cd-ns 1.1 180.0 2.0 Using the default value
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
ca-ca-ca-nc 1.1 180.0 2.0 Using the default value
NONBON