Martini Force Field Initiative
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That's probably just something we forgot to set consistently. However, atom name mismatches won't affect the simulation results. |
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Hello, everyone,
I follow the "Parametrization of a new small molecule" tutorial recently. In this tutorial, the atom names in "molecule.gro" and "ENAP_take1.itp" do not match each other, and the authors do not explain this explicitly. Wouldn't that cause errors in the simulation results?
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