[gmx-developers] structure factor

[Anton Feenstra]

Sega Marcello wrote:
> Hi all,
> 
> I've written a piece of code for the computation of the scattering
> intensity of an X-ray beam, since the one included in g_rdf doesn't work
> properly.
> If someone is interested in it, a brief discussion and the program itself
> can be found at http://www.science.unitn.it/~sega/g_sq/index.html

This sounds like something more of us would be interested in. Could you be
persuaded to make a modifier/improved version of g_rdf, which would be
included in the next release of Gromacs?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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