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GaMD simulations for antibodies-bound GC-A

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Figshare2025-07-11 更新2026-04-28 收录
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Topology file: sys.parm7 (AMBER format)Initial coordinate file: sys.pdbInitial coordinate file without lipid, ions and water: sys-protein.pdbGaMD equilibration input file: md.inGaMD production input file: md-restart.inFinal snapshot of GaMD simulations (500ns):run1-GaMD-500ns.pdb (simulation 1)run2-GaMD-500ns.pdb (simulation 2)run3-GaMD-500ns.pdb (simulation 3)MD trajectory of GaMD simulations (500 ns with stride 1000 ps/frame):run1-GaMD-stride1000ps.nc (simulation 1)run2-GaMD-stride1000ps.nc (simulation 2)run3-GaMD-stride1000ps.nc (simulation 3)

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2025-07-11
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