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T4 lysozyme, 1-micro second x 8 trajectories

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T4 lysozyme (164 residues) in water solution, 12844 molecules (39827 atoms) Force Field: AMBER03 force field and TIP3P water model. Initial structures: an open state = PDB ID 150L / closed state = 2LZM. The concentration of NaCl : 0.150~M. Preparation and equilibration scripts were can be available as follws. https://github.com/fazzz/preparation initial gro of production run: final_density_stabilization_open.gro, final_density_stabilization_close.gro topologies of production run: t4lw_open.top, t4lw_close.top MD input of production run: production.mdp job script:production_job.sh production tpr: production_open.tpr, production_close.tpr trajectories of production run: superimposed_1micros-10ns_open_[A,B].xtc, superimposed_1micros-10ns_close_[A-C].xtc animation: production_open_[A,B].mp4, production_close_[A-C].mp4

创建时间:
2023-12-21
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