T4 lysozyme, 1-micro second x 8 trajectories
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下载链接：
https://figshare.com/articles/dataset/T4_lysozyme_1-micro_second_x_8_trajectories/14920767
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资源简介：
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
