VMD-L Mailing List

From: Claire Loison (claire.loison_at_univ-lyon1.fr)
Date: Fri Jun 16 2017 - 05:45:51 CDT

Dear all,

Is there a published version available of NeutronRefTools ?

I found this interesting work :

"Molecular Dynamics Simulations and Neutron Reflectivity as an Effective
Approach To Characterize Biological Membranes and Related
Macromolecular Assemblies"
DOI: 10.1021/acs.jctc.5b00635 J.
Chem. Theory Comput. 2015, 11, 4875−4884

which describes the development of
a VMD tool for the calculation of
neutron reflectivity spectra from MD trajectories.

But I could not find this NeutronRefTools published on the vmd web site.

I found a similar tool SIMtoEXP ( DOI : 10.1007/s00232-010-9254-5),
but the vmd link would be quite nice...

Thanks for any help !
Claire 

-- 
Claire Loison
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Light and Matter Institute
Lyon 1 University/CNRS
Chargee de Recherche CNRS
Theoretical Physical Chemistry Group
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tel 	 : 0033 4 72 43 12 57
cellular : 0033 6 31 30 11 72