Gromacs/ Gromacs GUI

Maduroutmb · #1 25th June 2008, 08:43 PM

I do protein-substrate docking, and routinely used a program called Arguslab through wine. With FC9, I am no longer able to install the .i386 libs for the Nvidia driver, so I can't use Arguslab any longer. This is not much of an issue, since the best docking program is gromacs. This software is designed for linux, though I have not found anyone who maintains .rpm files for FC9.
I wanted to know if anyone had compiled a Gromacs rpm. Gromacs maintains .rpm binaries for CentOS, but these have a dependency conflict with folder usage. I have not compiled software before, and I cannot locate a spec file for Gromacs and FC9 anyhow. Furthermore, there is a KDE GUI for Gromacs that I will also use, though I have had the same issue with finding an FC9 compatible .rpm for it.

Any help in finding an .rpm or a spec file and compiling Gromacs and the GUI would be greatly appreciated. For reference, Gromacs and Gromacs GUI .

Any help that you can offer is appreciated.

riturajkalita · #2 2nd July 2012, 01:43 AM

Hi, I am also trying to use Gromacs, and I saw this search result http://rpm.pbone.net/index.php3/stat...search/gromacs - the 2nd page of which will give you a gromacs entry for fedora 9. Don't know whether that'll work, though! - Rituraj Kalita