Tag: Vangelis

Details of viscosity estimation (gmx energy -vis) – User discussions

GROMACS version: 2023.2GROMACS modification: No Hello everyone, I have started using gmx energy -vis to estimate shear viscosity (file visco.xvg) from equilibrium MD simulations. The command is very convenient and easy to use, but I would like to know the details of these calculations. For instance, it is not clear…

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