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1 parent 6dd98e8 commit e6568f7Copy full SHA for e6568f7
foyer/forcefields/trappe-ua.xml
@@ -97,7 +97,7 @@
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<Angle class1="CHx" class2="CHx" type3="O_eth" angle="1.95477" k="418.21733"/>
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<!-- aldehydes and ketones -->
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<Angle class1="CHx" type2="C_ket" class3="CHx" angle="2.04552" k="519.65389"/>
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- <Angle class1="CHx" class2="CHx_sp2" class3="O_sp2" angle="2.11883" k="519.65389"/>
+ <Angle class1="CHx" class2="CHx" class3="O_sp2" angle="2.11883" k="519.65389"/>
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<!-- alkenes -->
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<!-- C=[C]-C -->
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<Angle class1="CHx_sp2" type2="CH_sp2" class3="CHx" angle="2.08916" k="585.50426"/>
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