GROMACS version: 2024
GROMACS modification: No
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The GROMACS tutorial of the molecular simulation of lysozyme in water is available (Lysozyme in Water), which used OPLS-AA/L all-atom force field for protein and spce model for water. However, I want to simulate the complex of antibody-antigen with Gromacs 2024 using Amber ff14sb force field and TIP3P water model. Then, how should I modify parameters of MD scripts (such as ions.mdp, minim.mdp, npt.mdp and nvt.mdp) that were used to simulate lysozyme with different force field and water model. Thank you!