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Gmx

molecular dynamics simulation and analysis. 分子动力学模拟和分析。

Install / Use

/learn @liyigerry/Gmx
About this skill

Quality Score

0/100

Supported Platforms

Universal

README

Gromacs模拟协议、轨迹分析、测试分析

Gromacs相关

  1. 安装笔记gmx_install.sh
  2. 模拟脚本gmx_mpi.sh
  3. 模拟设置mdp文件gmx_mdp_files
  4. 轨迹分析trajectory_analysis_by_Gromacs

笔记

  1. 李毅笔记
  2. 梁晶步骤
  3. 杜星笔记
  4. 元动力学

小技巧

  1. linux相关linux.md
  2. gnuplot绘图技巧gnuplot.md
  3. openmm安装openmm.md
View on GitHub
GitHub Stars41
CategoryDevelopment
Updated7mo ago
Forks10

Languages

Jupyter Notebook

Security Score

72/100

Audited on Aug 29, 2025

No findings