GROMACS version: 2018.8
GROMACS modification: No
I am using the gmx trjconv tool to change the timestep in a trajectory (say from 1 ps to 100 ps). Normally this would be trivial because one can set the flag “-dt” to the desired timestep, but unfortunately this flag writes frames when"when t MOD dt = first time (ps)", whereas I would like it to write a frame when t MOD dt = 0.
This could of course be solved by setting “-t0 0” to make the first time zero. Unfortunately, my trajectory is composed of many parts (e.g. “traj.part0001.xtc”, “traj.part0002.xtc”, etc), and therefore I would like to preserve the starting time for each of the parts when changing the timestep. I would also like to avoid building one concatenated file with trjcat as the file would be very large and hard to handle for analysis purposes and further manipulations.
So, is anyone aware of a straightforward method for changing the timestep when the first time is not zero?
Any help is much appreciated,