Input files for CpHMD GROMACS protein titration benchmark
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Input files to run simulations for: "Protein titration benchmark of CHARMM36, Amber99sb-ildn, Amber14sb, OPLS-AA/M, and Martini 2 force fields for constant pH molecular dynamics in GROMACS" by Noora Aho*† (manuscript submitted April 2026) * Computational Physics Laboratory, Tampere University, Tampere, Finland † Theoretical Physics and Center for Biophysics, Saarland University, Saarbrücken,Germany
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2026-07-23
