What are the box dimensions (at the end of the gro file)?

Any chance you are mixing Ångström (default in Amber) and nanometer (default in GROMACS)?



Le 13/10/2016 à 13:34, Matilde Viegas a écrit :
I tried to downzise to 10 and yet the reduction was very little. I was just
trying t understand how can the difference between the same systems, using
either AMBER or GROMACS, can be of 1 million atoms...

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