Yu,
Thanks again. I still do not understand what that will calculate. Do you
have a possible literature reference where I could read about this? If we
modify the values of Coh_b doesn't that invalidate the calculation? Thanks
for your time.
Evan L.
On Mon, Jul 11, 2016 at 2:23 AM, Yu Ogawa wrot
Hi Evan,
You can find nsfactor.dat in /gromacs/share/top. You can copy it to your
working directory and modify the values of fourth column (Coh_b) to atomic
number.
Hope it could help you.
2016-07-08 15:39 GMT+02:00 Evan Lowry :
> Yu,
>
> Thanks for the idea. I see that gmx_sans allows for an opt
Yu,
Thanks for the idea. I see that gmx_sans allows for an optional data file
input "nsfactor.dat" but am unsure what that does. Could you provide some
details into what exactly goes into the "nsfactor.dat" file and what the
output would be? Thanks for your help.
Regards,
Evan L.
On Jul 8, 2016
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
2016-07-0
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 t