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Fragmenter option for generating the parameter #56

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pradipchm opened this issue Sep 18, 2024 · 0 comments
Open

Fragmenter option for generating the parameter #56

pradipchm opened this issue Sep 18, 2024 · 0 comments

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@pradipchm
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pradipchm commented Sep 18, 2024 •
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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.
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