GROMACS Molecular Dynamics Simulation Input Files for Atlantic Cod Allergen Gad m 1 — Calcium-Bound System (Part II)

This dataset contains GROMACS molecular dynamics simulation input files for the calcium-bound Atlantic cod allergen Gad m 1 (PDB ID: 2MBX) under eight combinations of thermal and pressure processing conditions (300 K, 325 K, 350 K, and 375 K at 1 bar and 3 kbar), performed in triplicate over a 200 ns timescale. Files include topology, coordinate, parameter (.mdp), position restraint, force field, and related input files used for simulations on the Narval supercomputer (Digital Research Alliance of Canada). This dataset supports Part II of a two-part study on the structural dynamics of Gad m 1 under thermal and pressure processing.