Eudragit L100 Multi-Phase All-Atom MD Simulation - Raw Data and Trajectories

Raw GROMACS .xvg data files, .xtc trajectories, .gro coordinates and figures for multi-phase all-atom MD simulation of Eudragit L100 submitted to RSC Pharmaceuticals 2025. Includes Phase 0 deprotonation series, Phase 0b plasticizer comparison (PEG400 vs TEC), Phase 1 TEC concentration optimization, Phase 2 multi-chain film, Phase 3 pH-switch, Phase 4 counterion effects, and Phase 5 concentration series. Simulations performed using GROMACS 2025.4, GAFF2 force field, SPC/E water on NVIDIA RTX 5050 GPU.