[gmx-users] .gro file format details
jalemkul at vt.edu
Fri Sep 7 17:46:39 CEST 2012
On 9/7/12 11:42 AM, Julio Dominguez wrote:
> Good day,
> I was looking for the documentation for the .gro format but I couldn't find it on the site or manual. I am missing something?I am trying to parametrize some lipid ligands using ATB (http://compbio.biosci.uq.edu.au/atb) and I have been creating the .gro files by trial and error. I would like to automate this process so having a look at the description of the format would be a great help.
The online manual describes all file formats (http://manual.gromacs.org) but
unfortunately all Gromacs sites appear to be down at the moment. In any case,
you can access the same information from the HTML files in your Gromacs
installation, in the share/gromacs/html/online subdirectory. Open up gro.html
in a web browser.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users