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Hace 12 horas · GROMACS version: 2022.4 GROMACS modification: Yes/No Hello, I would like to inquire if it is possible to include a [ nonbond_params ] section for custom cross Lennard-Jones terms (I take it that is what it is for) in the ffnonbonded.itp from one of the amber ff distributed natively with the gromacs as is available in the gromos one’s, in a way that the engine uses those instead of computing ...
