We are pleased to announce the new release of HTMD 1.6.0
• Prepare input files (most common force fields supported)
• Run script from command line
• Optimized ligand parameterization ligands
• integrate your own script (python)
• Use enhanced adaptive sampling
• Produce MD run on local GPU or in the Cloud (AWS)
• Analyze trajectories (Clustering, MSM, binding kinetics evaluation)
• New Metrics implemented: MetricSasa, MetricTMscore, MetricFluctuation
Visit our dedicated website and download (free for nonprofit) HTMD at https://www.htmd.org/download.html.
For more info, contact us at [log in to unmask]
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