Parameter file used for the energy minimization step in GROMACS molecular dynamics simulations.

This file applies the steepest descent algorithm with a maximum of 50,000 steps and a convergence criterion of 1000 kJ/mol/nm, ensuring removal of steric clashes and relaxation of initial structures before equilibration. This file is in plain text format but is intended for use with GROMACS; users should open it with a text editor or within the GROMACS environment. (MDP)本文件采用最速下降算法（steepest descent algorithm），设置最大迭代步数为50000步，收敛判据为1000 kJ/mol/nm，可在平衡化步骤前消除初始结构的空间位阻冲突并完成结构弛豫。本文件为纯文本格式，专为GROMACS设计，用户可通过文本编辑器或GROMACS环境打开该文件。(MDP)