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ubiquinone.frcmod
26 lines (18 loc) · 1.13 KB
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ubiquinone.frcmod
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MASS
BOND
ANGLE
DIHE
c -cd-os-c3 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0
c -cc-os-c3 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0
cc-cd-os-c3 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0
cd-cc-os-c3 2 2.100 180.000 2.000 same as X -c2-os-X , penalty score=232.0
IMPROPER
c2-c3-c2-c3 1.1 180.0 2.0 Using the default value
c2-c3-c2-ha 1.1 180.0 2.0 Same as c2-c3-c2-hc, penalty score= 28.3)
c -c3-cc-cd 1.1 180.0 2.0 Same as c -c3-ca-ca, penalty score=251.9)
cc-cd-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -c3-cd-cc 1.1 180.0 2.0 Same as c -c3-ca-ca, penalty score=251.9)
c -cd-cc-os 1.1 180.0 2.0 Using the default value
c -cc-cd-os 1.1 180.0 2.0 Using the default value
NONBON