I have tried to get the OPLS parameters for tannic acid, but it showed unknown errors. A couple of structures optimized with semi-empirical methods were tested. The molecule has zero charge. Could you please help generate oplsaa parameters for the attached structure? I included several files for the same molecule. In addition, is the limit of 200 atoms still in play if I use command-line LigParGen. Thank you very much.
Dear Developers,
I have tried to get the OPLS parameters for tannic acid, but it showed unknown errors. A couple of structures optimized with semi-empirical methods were tested. The molecule has zero charge. Could you please help generate oplsaa parameters for the attached structure? I included several files for the same molecule. In addition, is the limit of 200 atoms still in play if I use command-line LigParGen. Thank you very much.
Best, Xiao
tannic.zip
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