VMD-L Mailing List
From: Salvador H-V (chava09hv_at_gmail.com)
Date: Tue Mar 12 2013 - 14:42:57 CDT
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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
Salvador
- Next message: John Stone: "Re: clear altloc field"
- Previous message: John Stone: "Re: namdenergy: different results for single vs multiple frames"
- Next in thread: Jérôme Hénin: "Re: Calculating rdfs without the VMD gui"
- Reply: Jérôme Hénin: "Re: Calculating rdfs without the VMD gui"
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