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 <jalem...@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 > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 865-241-1537, ORNL PO BOX 2008 MS6309 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
