Considering switching to NAMD3

From: Gerald Keller (
Date: Tue May 17 2022 - 10:18:27 CDT

Hi there,

in our group we are considering to switch from NAMD 2.14 to NAMD 3-alpha10. Our main application is to run plain NVT and NPT MD simulations of protein-ligand-complexes or membrane-protein-systems in explicit solvent. Since the latest version is alpha10, we wanted to ask if this is still a 'real' alpha-version and to what extent could one expect (numeric) instabilities or bugs? Or in other words: Can we use NAMD 3-alpha without hesitation for plain NVT and NPT MD simulations in explicit solvent?

Best regards,

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