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Name
Modified
Size
Structure Preparation
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5 items
Protein PSF
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5 items
Minimization
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18 items
SMD
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87 items
Equilibration
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46 items
SMD Analysis
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50 items
Solvation
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9 items
Uploads
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3 items
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Created
May 01, 2026 at 05:26
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Pull a protein through a steered-molecular-dynamics unfolding experiment and get back the force-extension curve, the rupture force, and the trajectory you can spin in 3D. This demo runs the canonical titin I27 domain (Lu et al. 1998) as a calibration benchmark — same pulling protocol (5 Å/ns, spring constant k = 7) used for the lab's other SMD targets, so force measurements are comparable run-to-run. Built for biophysics and mechanobiology groups measuring protein mechanical stability, and for anyone who needs a reproducible SMD pipeline — solvation, equilibration, production NAMD, steered pull, and force analysis — without re-wiring it for every new target.
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