08 October 2021 1 10K Report

I had to extend my GROMACS simulation four times and it finally gave me four trajectories, I was able to merge all four with gmx trjcat, however, it still comes out:

Fatal error:

Molecule in topology has atom number below and above atoms (30)

Your probably trying to use a trajectory which doesn´t match the first 30 atoms

atoms of the run input file

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