Total simulation times collected for each forcefield employed and respective water models.
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下载链接：
https://figshare.com/articles/dataset/Total_simulation_times_collected_for_each_forcefield_employed_and_respective_water_models_/5495509
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资源简介：
Convergence of the REST2 simulations was determined using cluster analysis, whilst brute-force MD simulation was considered to reach equilibrium when the system energies and backbone RMSD had plateaued. CHARMM22/CMAP is designated as CHARMM27.
创建时间：
2017-10-13
