[gmx-users] Installing an Individual Tool (g_select)

[Erik Marklund]

Hi,

You don't have to replace existing installations. You can simply build a new gromacs version and install it in a different folder than your existing installation. If you still want only the g_select tool for whatever reason you can usually chose to only build one tool (and its dependencies)  by issuing "make g_select" (or whatever tool of your choice). Installing it, however, is more problematic iirc, but you can in fact run it from the build directory.

Best,

Erik

On 11 okt 2012, at 15.48, Smitty wrote:

> Dear Gromacs Guru's,
> 
> I currently have an old installation of gromacs (4.0.7) on my cluster and
> the newer 4.5.4 on a gpu-machine that my group was using to explore the
> gromacs-gpu acceleration. While using the newer version we found that
> g_select was incredibly useful and seemed to work with both our 4.5.4
> trajectories and our 4.0.7 trajectories, the problem being that we could
> only use g_select on the gpu machine. So here's my question, what do I need
> to compile just the g_select program from the 4.5.4 package onto the older
> machine. We are currently in the middle of running some simulations using
> the older version so replacing the entire gromacs package with the new
> version is not an option.
> 
> Thanks for the help.
> 
> -Smitty
> 
> 
> 
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html