$dihedral:o1_co_o2_ho2 @dihedral:O~_C~_OH_HO__2 $atom:o1 $atom:co $atom:o2 $atom:ho2 # dihedral_coeff @dihedral:O~_C~_OH_HO__1 0.000 5.500 0.00 0.0 # carboxylic acid ...
Chemistry Division, Bhabha Atomic Research Centre, Mumbai 400 085, India ...
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