zenodoopen
Input files for the simulation of KcsA-K+-LAB-TEA, when both LAB-TEA and K+-ion are placed inside the channel cavity.
<p>Input files for the simulation of KcsA-K<sup>+</sup>-LAB-TEA, when both LAB-TEA and K+-ion are placed inside the channel cavity. 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-k<sup>+</sup>*<br> 5. Input files for the remaining different trajectories start with the file name, lab-tea-k<sup>+</sup>*</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0