[gmx-users] a gro file at the end of simulation

Justin Lemkul jalemkul at vt.edu
Tue Apr 9 14:30:25 CEST 2013

On Tue, Apr 9, 2013 at 8:02 AM, Za Pour <za.pour at yahoo.com> wrote:

> Dear All
> I have done the lysozyme tutorial and at the end of the simulation a .gro
> file have
> been produced. would you please tell me whether this gro file contains the
> structure
> of our molecules at the end of simulation or not? I mean does it show the
> simulation
> box at the end of simulation?
>From mdrun -h:

"The structure file (-c) contains the coordinates and velocities of the
last step."




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)


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