[gmx-users] Fwd: Questions for the forum

Stéphane Téletchéa stephane.teletchea at univ-nantes.fr
Thu Oct 13 21:36:52 CEST 2016


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)?

Best,

Stéphane


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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