[gmx-users] Question about Mean Square Displacement (MSD)

[Sina Omrani]

Hi,
I am trying to post-processing my results and calculate MSD (mean square
displacement) but my answer is different from the MSD value that GROMACS
calculated. I use trjconv command and use the output .gro file. I tried to
understand the GROMACS code but I am not a good programmer. Is there any
specific detail except the Einstein relation in the manual?

sorry if here is not the right place to ask this question.
Best regards.

Sina Omrani.