Update simulation tutorial to use CHARMM36m and add terminal capping instructions#756
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amjjbonvin merged 1 commit intohaddocking:masterfrom Dec 23, 2025
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dkotzamp
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Dec 23, 2025
dkotzamp
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- 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
amjjbonvin
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Dec 23, 2025
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