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                                            Teslim

Atom type not found in the oplsaa.lt

Update: I read a paper (ref: https://pubs.acs.org/doi/full/10.1021/jp963460g) and got the inspiration to model the -CH2-O-SO3 as to -CH2-O-PO3 (available in oplsaa.lt). In the existing oplsaa.lt, I am able to find...

Atom type not found in the oplsaa.lt

Thanks for the detailed explanation. I will try out your suggestions.