官方提供的一个方法是cpptraj 算rmsf ，存到pdb的bfactor。visualize时例如用bfactor 上色。不过用这方法...
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Molecular Dynamics Simulation Investigation of the Binding and Interaction of the EphA6-Odin Protein Complex In this work, the key residues of the interaction interface were determined through a hydrogen bond, root-mean-square deviation (RMSD), root-mean-square fluctuation (RMSF), and dynamic correl...
The detailed description of this software and its interface are provided in the section "Accessible and user-friendly RMSF-net" of the paper's Supplementary Material. RMSF annotated pdb files The datasets containing MD simulation annotations for RMSF-net training and evaluation are accessible for down...
老师们好，我使用gmx rmsf命令生成了rmsf.xvg文件，并在电脑使用qtgrace 将文件可视化，如下图 但是该...
oq 的pdb 結構是你自己給的。ox 的pdb 結構是 gmx 算出來的， 根據軌跡算的average structure 以下截...