[gmx-users] Meaning of GMX?

Justin Lemkul jalemkul at vt.edu
Thu Oct 19 23:08:36 CEST 2017

On 10/19/17 4:45 PM, Hoa Trinh wrote:
> Dear GMX users,
> Why does Gromacs have many gmx functions: gmx grompp gmx mdrun ...
> What is the meaning of GMX?

"gmx" has long been shorthand for "GROMACS" - there used to be a ton of 
individual binaries, but lots of people (reasonably) complained about 
problems related to name clashes and maintainability, so a few versions 
back, everything got grouped into one binary (gmx) and the individual 
commands are modules executed by it.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


More information about the gromacs.org_gmx-users mailing list