[gmx-users] gmx_saxs sampling frequency

[Evan Lowry]

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.