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Copy path29P.frcmod
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29P.frcmod
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MASS
BOND
ANGLE
DIHE
c5-c3-cd-cc 1 0.157 180.000 3.000 same as c3-c3-cd-cc, penalty score= 0.0
cd-c3-c5-c2 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
cd-c3-c5-ns 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
cd-c3-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c3-c2-c5-c3 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
ce-c2-c5-c3 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
c3-c5-ns-c 1 1.150 180.000 1.000 same as c3-c3-ns-c , penalty score= 0.0
c3-c5-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c5-c2-c3-hc 1 0.150 0.000 3.000 same as c3-c2-c3-hc, penalty score= 0.0
o -c -ns-c5 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
ce-c -ns-c5 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
c2-c5-ns-c 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c2-c5-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -X , penalty score= 0.0
c3-c3-ce-c2 1 0.372 0.000 3.000 same as c3-c3-cc-ca, penalty score=223.0
hc-c3-ce-c2 1 0.260 180.000 3.000 same as c2-c2-c3-hc, penalty score=237.0
c3-c2-c5-ns 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
ce-c2-c5-ns 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
ns-c -ce-c2 4 0.000 180.000 -2.000 same as n -c -ce-c2
ns-c -ce-c2 1 1.370 180.000 -3.000 same as n -c -ce-c2
ns-c -ce-c2 1 2.110 180.000 1.000 same as n -c -ce-c2, penalty score= 0.0
c3-c3-ce-c 6 0.000 0.000 3.000 same as X -c3-cc-X , penalty score=136.0
hc-c3-ce-c 1 0.260 180.000 3.000 same as c2-c2-c3-hc, penalty score=324.0
hc-c3-c5-c2 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
hc-c3-c5-ns 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
hc-c3-c5-h1 9 1.400 0.000 3.000 same as X -c3-c3-X , penalty score= 0.0
c3-c2-c5-h1 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
ce-c2-c5-h1 6 0.000 0.000 2.000 same as X -c2-c3-X , penalty score= 0.0
h1-c5-ns-c 1 0.000 0.000 1.000 same as h1-c3-ns-c , penalty score= 0.0
h1-c5-ns-hn 6 0.000 0.000 2.000 same as X -c3-n -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
ce-c -ns-hn 4 10.000 180.000 2.000 same as X -c -n -X , penalty score= 0.0
IMPROPER
c3-o -c -o 1.1 180.0 2.0 Using general improper torsional angle X- o- c- o, penalty score= 3.0)
c3-cc-cc-cd 1.1 180.0 2.0 Using the default value
c3-cc-cd-na 1.1 180.0 2.0 Using the default value
cd-cd-na-hn 1.1 180.0 2.0 Using general improper torsional angle X- X-na-hn, penalty score= 6.0)
c3-c5-c2-ce 1.1 180.0 2.0 Using the default value
c -c5-ns-hn 1.1 180.0 2.0 Same as X -X -n -hn, penalty score= 6.0 (use general term))
ce-ns-c -o 10.5 180.0 2.0 Using general improper torsional angle X- X- c- o, penalty score= 6.0)
c -c2-ce-c3 1.1 180.0 2.0 Using the default value
NONBON