标题: How to build molecular dynamics file (.mdp) ? [打印本页] 作者Author: zako 时间: 2021-4-15 06:17 标题: How to build molecular dynamics file (.mdp) ? Hello Dear All,
I'm a beginner user of Gromacs software, and i follow some tutorials, but most of tutorials doesn't explain how to obtain the .mdp file.
Many thanks in advance 作者Author: sobereva 时间: 2021-4-15 06:56
You need to read relevant books to understand basic ideas and algorithms of MD (e.g. Molecular modelling Principles and applications 2ed (Leach A.R.)), and then carefully read the section describing mdp options