CHL Lab Rosalind J. Xu 18' June 2018
This folder contains all protocols / scripts / input files for doing md, solefp, lineshape conversion, qmmm, and force field parametrization.
To best understand contents in this folder, please read directories and files in the following order:
- If there is a README: read it first
- Read directories / files with the smallest index first, then move on to larger indexes or directories / files that are not indexed. --> For example, the first file you should be reading (after this README) is 0-hardwares & softwares / 1-desktop / 0-software-for-desktop.docx
Additionally, the CHL Lab at Haverford College has all my project files as well as electronic notes, which could be helpful.
Best Wishes, Rosalind Xu