[gmx-users] gmx sans and gmx saxs

Sahithya S Iyer sah2714 at gmail.com
Tue Apr 18 18:07:05 CEST 2017

Dear gromacs users,

I am trying to calculate static structure factor from the MD trajectory. I
want to calculate this from the trajectory and not simply by Fourier
transforming g(r).
Can someone please tell me how to do this using gromacs ? Can I use gmx
sans ? What is gmx saxs ? (are there neutron and x-ray small angle
structure factors ?)

Thanks in advance,


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