Extract number of frames from simulation time

User discussions
1

GROMACS version:2019.2
GROMACS modification: Yes/No
My simulation has 10000000 steps and dt=0.01 ps. How to find total number of frames and simulation time is 100ns?

2

Hi,
the number of frames you have in the output file (e.i trajectory) depends on the frequency you use to save them . The values is defined in mdp file -Molecular dynamics parameters (.mdp options) — GROMACS 2022.2 documentation

The simulation time is given by the (number of step)*(time-step) the value is in ps.

\Alessandra