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Length 4Unbiased MDAdaptive samplingEquilibrium status: Global
Updated: 2026-06-26
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Report and Visualization for pHaseMD4AI: simulation-derived outputs and extended MSM-based analysis.
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MDsrv/NGL viewer for PDB + XTC.
adaptive
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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
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Diagnostics for convergence of sampling
Comparison of different methods
Downloads
System:AMRA·Current method:adaptive
Data
Structure + Trajectories + Energy/Velocity/Force/lambda files
adaptivedata.zip
Trajectory
Structure + Trajectories
adaptivetrajectory.zip
Features
CV-related files
adaptivefeatures.zip
MSM
Transition matrix-related files + macrostate state structures
adaptivemsm.zip
Figs
Figures
adaptivefigs.zip
All
All the documents mentioned above
adaptiveall.zip