VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Wed Mar 13 2013 - 02:36:42 CDT

Dear Salvador,

You can run VMD without its GUI. Script your calculation in Tcl, then run something like:
vmd -dispdev text -e my_script.tcl

Cheers,
Jerome

----- Original Message -----
> 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
>
>
>
>
>
>