MSD computation by gmx analyze -msd

GROMACS version: 2020.4
GROMACS modification: Yes/No
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I am using the following tool to compute the MSD of a particle in a trajectory of 1000 ps with 50000 frames.

gmx analyze -msd -time -f velocities_1.xvg

Although the complete amount of frames are taken to get the averages, the MSD computation only takes half of the frames (25000). What can I do to extend the number of frames to 50000 for MSD computation?

Best regards,


The time in the MSD calculation is not the frame number. All frames are used. The time in the output is the lag time, or stated difference t in MSD(t).