Input files for the simulation of KcsA-K+-LAB-TEA, when both LAB-TEA and K+-ion are placed inside the channel cavity.

Name: Input files for the simulation of KcsA-K+-LAB-TEA, when both LAB-TEA and K+-ion are placed inside the channel cavity.
Creator: Cholasseri, Rinsha; De, Susmita
Published: 2023-08-07T00:00:00+08:00

Zenodo2023-08-07 更新2026-04-07 收录

离子通道

分子动力学输入

数据链接：

https://zenodo.org/record/8220765 数据链接链接失效反馈

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资源简介：

Input files for the simulation of KcsA-K+-LAB-TEA, when both LAB-TEA and K+-ion are placed inside 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+* 5. Input files for the remaining different trajectories start with the file name, lab-tea-k+*

提供机构：

Cholasseri, Rinsha; De, Susmita

创建时间：

2023-08-07