How to calculate msd in gromacs?

27 February 2024 1 8K Report

i m calculating msd for 2rvd(chignolin) by my self made c code but the results are not as expected. so i want if there is any way to calculate msd in gromacs.also my msd is getting saturated after some time which could mean that my protein is not moving. i m looking forward to discuss these thing

Nicola Piasentin

Take a look here: https://manual.gromacs.org/current/onlinehelp/gmx-msd.html

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