除了我们常看的gmx manual以外，官网上还有很多信息，多看看对理解gmx有好处，以下我把官网上的信息大致列出来，大家看看有没有感兴趣的专题：
About Gromacs
Developer Zone //如果要改源码，要读这一部分
Documentation //对gmx有一个深入的了解
GPU acceleration //从4.6版本开始，用了新的gpu架构，里面有测试的参数
Gromacs papers //初始文献
Jobs //招聘
Project ideas //提出的未来的项目
Support //help，里面有举办的培训班信息，比较实用，按专题分类
Documentation
- Acceleration and parallelization
- Cut-off schemes
- Errors
- FAQs
- Floating Point Arithmetic
-
How-tos
- Adding a Residue to a Force Field
- Analysing Trajectory Information
- Beginners
- Carbon Nanotube
- Changing a 3 Point Water Model to a 4 Point Water Model
- Checkpointing Jobs
- Constant pH Simulation
- Diffusion Constant
- Dihedral PCA
- Dihedral Restraints
- Distance Restraints
- Doing Restarts
- Essential Dynamics
- Extending Simulations
- Free Energy Calculations
- Plotting Data
- Build a Linux Cluster
- Making Disulfide Bonds
- Membrane Simulations
- Micelle Clustering
- Mixed Solvents
- Multiple Chains
- Multiple Topology Entries
- Non-Water Solvation
- Normal Mode Analysis
- Parameterization of novel molecules
- pKa calculations
- Polymers
- Position Restraints
- Potential of Mean Force
- QMMM
- Reading XTC From Fortran
- Reducing Trajectory Storage Volume
- REMD
- Removing fastest degrees of freedom
- Single-Point Energy
- Speeding Up Simulations
- Steps to Perform a Simulation
- Tabulated Potentials
- Water Solvation
- Tool Changes for 5.0
- Trajectory Visualization
- Using Commands in Scripts
- Using VMD plugins to read trajectory formats not native to GROMACS
- Include File Mechanism
- Installation Instructions 4.5
- Installation Instructions 4.6
- Installation Instructions 5.0
- Manual
- Performance checklist
- Terminology
-
Tutorials
- Another Lysozyme Tutorial
- Free energy of solvation tutorial
-
GROMACS USA Workshop and Conference 2013
- An introduction to free energy calculations: Michael Shirts, Session 2A
- An introduction to replica exchange simulations: Mark Abraham, Session 1B
- Computing potentials of mean force: Justin Lemkul, Session 2A
- Free energy calculation capabilities in GROMACS: Michael Shirts, Session 1B
- How long do I need to run my simulations? A guide to thinking about convergence and sampling: Peter Kasson, Session 1B
- Large-scale automated ensemble simulation with GROMACS & Copernicus: Iman Pouya, Session 2B
- Membrane Simulations: Justin Lemkul, Session 1A
- Parallelization schemes and GPU acceleration: Szilard Pall, Session 2B
- Topology preparation, "What's in a log file", basic performance improvements: Mark Abraham, Session 1A