Update simulation tutorial to use CHARMM36m and add terminal capping instructions #756

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amjjbonvin merged 1 commit into haddocking:master from dkotzamp:update-simulation-tutorial

Dec 23, 2025

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dkotzamp commented Dec 23, 2025

Replaced AMBER99SB-ILDN with CHARMM36m throughout the tutorial
Updated the solvent description to the CHARMM-modified TIP3P water model
Added instructions for terminal capping using Victor's pdb_cap.py script
Fixed minor typos


          Update simulation tutorial

c2d6053

dkotzamp requested review from AnnaKravchenko and amjjbonvin

December 23, 2025 15:24

amjjbonvin approved these changes

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amjjbonvin merged commit 34cfb5b into haddocking:master

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