[gmx-users] After MD simulation => put the sample under

Chih-Ying Lin chihying2008 at gmail.com
Mon Jan 19 19:15:16 CET 2009

SANS (small angle neutron scattering) is applied on the protein
system, which determines the tertiary structure of protein.

We can simulate the ligand-protein docking with MD simulation and
visualize the interaction between them.

After MD simulation, how to reproduce the data derived from the SANS?

Thank you

Chih-Ying Lin wrote:
> Hi
> Has someone experineced put "the MD-simulated sample" under "a modeled
> -scattering equipment" ?
> Or, how to "model a scattering equipment" ?
> then, how to put the sample under the modeled scattering equipment?
> Or, how to get the scattering data from the MD-simulated system?

You've got better chances of getting an answer if you ask one coherent
question :-)


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