From: Salvador H-V (
Date: Tue Mar 12 2013 - 14:42:57 CDT

Dear All,

I am interested in calculating the radial distribution functions (rdf) of a
binary mixture.
I have the xyz coordinate files with the stored configurations.

I want to perform such calculations without using the GUI of VMD.
I would like to exploit the (excellent) multi-threaded c++ code as well as
the GPU
accelerated CUDA code. I was wondering if it is possible to take advantage
of these codes
without loading the configurations in VMD.

Although, I am not very familiar with c++ nor GPU code, I would really
appreciate any idea or suggestion.

Thanks a lot in advance