Parameter file used for the energy minimization step in GROMACS molecular dynamics simulations.
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https://figshare.com/articles/dataset/Parameter_file_used_for_the_energy_minimization_step_in_GROMACS_molecular_dynamics_simulations_/30210266
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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
