AE1 MD simulation data
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资源简介：
MD simulation setups and results for the AE1 system, including the configuration files and corresponding input files (pdb/psf/...) for the equlibration systems (IF1/OF and IF2/IF2), SMD simulations, SMwST simulations and BEUS simulations . Trajectories for the two equilibrium simulations and biased conformational change are also included. Water is removed from the trajectories.
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Zenodo创建时间：
2025-01-18
