GaMD simulations for antibodies-bound GC-A
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://figshare.com/articles/dataset/GaMD_simulations_for_antibodies-bound_GC-A/29508473
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资源简介：
Topology file: sys.parm7 (AMBER format)
Initial coordinate file: sys.pdb
Initial coordinate file without lipid, ions and water: sys-protein.pdb
GaMD equilibration input file: md.in
GaMD production input file: md-restart.in
Final 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)
创建时间：
2025-07-11
