Hi Evan, I had the same issue, and could not solve the problem as I did not go into the source code. What I did at that time is to use "gmx sans" with modified nsfactor.dat where I put atomic number instead of scattering length, though I don't know how appropriate that approach is..
Yu 2016-07-07 16:17 GMT+02:00 Evan Lowry <evanwlo...@gmail.com>: > Hello, > > I am attempting to use the gmx_saxs tool in order to resolve the x-ray > scattering intensity profile for a trajectory of aggregating molecules. The > primary peaks (non-log scale) are occurring at q values of about 0.5 1/nm. > Unfortunately, the gmx_saxs tool doesn't have a feature to decrease the > grid spacing in q-space. Does anyone know if there is a way to make tool > calculate with more resolution in the small q range (preferably without > diving into and modifying the module)? Any ideas would be much appreciated. > > Thanks, > > Evan L. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
