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Length 4Unbiased MDAdaptive samplingEquilibrium status: Global
Updated: 2026-06-26
Workbench
Report and Visualization for pHaseMD4AI: simulation-derived outputs and extended MSM-based analysis.
Deep analysis
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Current view: unbiased
Trajectory viewer
MDsrv/NGL viewer for PDB + XTC.
unbiased
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maxLen5.0 Å
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vector cutoff: 0.000
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Meta information
Length
4
Methods
Unbiased MD · Adaptive sampling
Force Field
CHARMM36m
Temperature
300K
Equilibrium status
Global
Free energy surface & coarse-grained states
Loading FES & coarse-grained states…
Diagnostics for convergence of sampling
Comparison of different methods
Downloads
System:AYGA·Current method:unbiased
Data
Structure + Trajectories + Energy/Velocity/Force/lambda files
unbiaseddata.zip
Trajectory
Structure + Trajectories
unbiasedtrajectory.zip
Features
CV-related files
unbiasedfeatures.zip
MSM
Transition matrix-related files + macrostate state structures
unbiasedmsm.zip
Figs
Figures
unbiasedfigs.zip
All
All the documents mentioned above
unbiasedall.zip