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1 parent e8dd1ce commit 5364f44Copy full SHA for 5364f44
moltemplate/force_fields/oplsaa.lt
@@ -146,7 +146,7 @@ OPLSAA {
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set type @atom:90 charge -0.115 # "Aromatic C"
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set type @atom:91 charge 0.115 # "Aromatic H-C"
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set type @atom:92 charge 0.0 # "Naphthalene Fusion C"
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- set type @atom:93 charge -0.065 # "Ethyl Benzene CH3-"
+ set type @atom:93 charge -0.065 # "Methyl Benzene CH3-"
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set type @atom:94 charge -0.005 # "Ethyl Benzene -CH2-"
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set type @atom:95 charge -0.115 # "Diene =CH-CH="
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set type @atom:96 charge -0.683 # "Alcohol -OH"
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