GaMD simulation for apo GC-A
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://figshare.com/articles/dataset/GaMD_simulation_for_apo_GC-A/27176445
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资源简介：
Topology file: step5_input.parm7 (AMBER format)
Initial coordinate file: step5_input.rst7 (AMBER format)
GaMD equilibration input file: md.in
GaMD production input file: gamd-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)
创建时间：
2024-10-07
