[gmx-users] g_sans

[XUEMING TANG]

Dear Prof. Roland:

Thank you very much for the information! I need to do study more on SANS.
If use of your method, would like to cite your work!

Happy holidays and best wishes!
Xueming

On Tue, Dec 18, 2012 at 4:22 PM, Roland Schulz <roland at utk.edu> wrote:

> 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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