GROMACS version: 2020.4
GROMACS modification: Yes/No
Here post your question
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?