Equivalent Thermostat to Langevin in GROMACS for MD Simulations

GROMACS version: GROMACS 2024
GROMACS modification: No
Hi every one,

I want to reproduce some MD simulations performed with NAMD using the same parameters in GROMACS. These simulations in NAMD used a Langevin thermostat. If I want to use the md integrator in GROMACS, which thermostat should I choose? Which thermostat in GROMACS is equivalent to the Langevin thermostat in NAMD?
thanks!

yn liu

The sd integrator is a leap-frog integrator with Langevin friction for temperature control.

1 Like

thank you for your answer, I’ll try this integrator.