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Fragmenter option for generating the parameter

Open pradipchm opened this issue 1 year ago • 0 comments

Hi, I am new to amoeba force field and still trying to understand the every steps of poltype2 calculation. I am getting an error while using dontfrag as default False, but if I use True there is no error. Is it fine to calculate without fragmenting or what is the purpose of fragmenting? I appreciate your suggestion.

pradipchm avatar Sep 18 '24 21:09 pradipchm