Plumed 安装及手册

Posted by XiLock on January 23, 2022

Please ensure that you have setup PLUMED and GROMACS on your machine before starting the exercises.
Also notice that in order to obtain good performances it is better to compile GROMACS from source on the machine you are running your simulations.
You can find out in the PLUMED documention how to patch GROMACS with PLUMED so as to be able to install it from source. For this tutorial, the conda precompiled binaries will be sufficient.

参考资料:

  1. 增强采样软件PLUMED的安装与使用
  2. PLUMED系列-安装教程
  3. PLUMED资料
  4. gromacs + plumed 编译安装教程
  5. Plumed Tutorial


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