[gmx-users] a query about analysis

[Erik Marklund]

oguz gurbulak skrev:
>
> Dear All,
>
>  
>
> I study on molecular dynamics simulations of organic molecules. I want 
> to learn that Is there an excel-like program that accepts more data 
> set ( for instance output info for 5000 records ) in order to make 
> analysis ? Could you please give me some suggestions about this issue ?
>
>  
>
> Thank you very much for your attention.
>
>  
>
> Kind regards.
>
>
Hi,

It's a bit unclear to me exactly what you mean, but no, there is no 
excel-like program that I know of if it's the spreadsheet style that 
you're after. xmgrace accepts multiple data sets, and creative scripting 
can be used to call the gromacs analysis tools 5000 times.

-- 
-----------------------------------------------
Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://folding.bmc.uu.se/