Parameter file used for the energy minimization step in GROMACS molecular dynamics simulations.
收藏NIAID Data Ecosystem2026-05-10 收录
数据链接：
官方服务：
资源简介：
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)
创建时间：
2025-09-25
