Input files for the simulation of KcsA-LAB-TEA, when LAB-TEA is placed in the channel cavity with no K+-ion
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Input files for the simulation of KcsA-LAB-TEA, when LAB-TEA is placed in the channel cavity. The simulation is performed without K<sup>+</sup>-ion. The inputs include,<br> 1. Input files for minimization (*min.in)<br> 2. Input files for heating (*h1.in, *h2.in, and *h3.in)<br> 3. Input files for equilibration (*eq*.in) and production runs (*prd*.in)<br> 4. Input files for the first trajectories start with file name, 1-lab-tea*<br> 5. Input files for the remaining different trajectories start with file name, lab-tea*
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Zenodo创建时间：
2023-08-07
