@Samuel-Reji

Samuel Reji

1 Questions 3 Answers 0 Followers

Questions related from Samuel Reji

How to generate topology and .itp files for succinic acid and Zn²⁺ in GROMACS using OPLS-AA?

I’m setting up a GROMACS simulation (10 nm box made with PACKMOL) containing water, Zn²⁺, and succinic acid using the OPLS-AA force field. Since succinic acid is not a biomolecule, pdb2gmx shows...

28 August 2025 1,269 4 View

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