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Molecular Modeling
How to Set Up a Membrane Protein MD Simulation with CHARMM-GUI and GROMACS
Build a protein-in-bilayer system with CHARMM-GUI Membrane Builder, then run the six-step equilibration ladder in GROMACS without rebuilding anything.
DA
Dr. Abdul Rajjak Shaikh
·
13 min read
August 7, 2026
Updated
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