Applying external force to group of atoms

Hi MichelePellegrino,

Thank you for your prompt response. It appears that the thermostat is indeed influencing the intensity of all external fields and non-equilibrium molecular dynamics processes in this scenario. I’m curious if GROMACS offers any specific corrections for addressing this issue. Moreover, if temperature control via grouping is the approach, I’d like to seek your advice on the optimal settings for temperature control via grouping.

Additionally, your previous response has sparked some inspiration, leading me to ponder further questions https://gromacs.bioexcel.eu/t/pressurized-fluid-flow/2974/14. If you’re inclined, I’d be grateful to hear your perspectives on them.