How to solvate protein ligand complex with extended water model ,?

23 November 2023 0 10K Report

Hi everyone, I am simulating HDAC11 with my prospective ligands as inhibitor. I need to solvate the complex with SPC/E water model. But in gromacs there are only SPC, TIP3 and TIP4 water model are available. How could I use SPC/E water model to solvate the complex ?

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