[gmx-users] g_rdf: how to change grid spacing for structure factor

Sanku M msanku65 at yahoo.com
Thu Jun 2 21:23:21 CEST 2011


Hi,
  I am using gromacs_4.0.7 to calculate the Scattering Intensity as a function 
of scattering vectors(q) using g_rdf -sq command .
But, I found that there is no way that one can increase/decrease the grid 
spacing  for structure factor calculation. I tried using -bin option , but that 
does not change anything as that only works for changing bin-width for Radial 
distribution function calculation. 
If some one can point me out any way out of changing the grid spacing for 
structure factor, that will be very helpful.

Sanku
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