[gmx-users] g_sans

[Roland Schulz]

Hi,

g_sans is already in the master version of Gromacs (Justin's link is to
g_nse) but it won't be part of 4.6 instead it will be part of 5.0. You can
get this version from git (git clone git://git.gromacs.org/gromacs.git). As
an alternative you could use http://www.sassena.org/ (disclaimer the author
of the software is a colleague in my group).

Roland


On Tue, Dec 18, 2012 at 4:10 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 12/18/12 3:59 PM, XUEMING TANG wrote:
> > Hi there
> >
> > I searched through the website for g_sans, which is a simple tool to
> > compute Small Angle Neutron Scattering spectra. But I cannot find it in
> > gromacs folder?
> > I found it in the following website:
> >
> >
> http://gromacs.5086.n6.nabble.com/g-kinetics-g-options-g-dos-g-dyecoupl-and-g-sans-description-missing-td4999165.html
> >
> > Is there any ready to use script for SANS in Gromacs?
> >
>
> The code is still being reviewed and has not be merged into the development
> version at this time.
>
> https://gerrit.gromacs.org/#/c/1828/
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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