Input files for the simulation of KcsA-K+-LAB-TEA, when LAB-TEA is placed in the cytoplasmic region with K+-ion in the channel cavity
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https://zenodo.org/record/8220725
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资源简介：
Input files for the simulation of KcsA-K+-LAB-TEA, when LAB-TEA is placed in the cytoplasmic region with K+-ion in the channel cavity. The inputs include,
1. Input files for minimization (*min.in)
2. Input files for heating (*h1.in, *h2.in, and *h3.in)
3. Input files for equilibration (*eq*.in) and production runs (*prd*.in)
4. Input files for the first trajectories start with file name, 1-lab-tea-k-entra*
5. Input files for the remaining different trajectories start with file name, lab-tea-k-entra*
6. Input files for the trajectories with restraint weight on K+-ion starting with file name, lab-tea-entra-k-restraint*
创建时间：
2023-08-08
