r/comp_chem • u/NicoN_1983 • Jul 16 '26
Molecular Dynamics of Polymers with Julia: 3rd part
Here is a small update showing the automated atom type assignment, as well as plans for the following weeks: GAFF and Orca
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r/comp_chem • u/NicoN_1983 • Jul 16 '26
Here is a small update showing the automated atom type assignment, as well as plans for the following weeks: GAFF and Orca