[gmx-users] g_rdf

[Marcos Villarreal]

you can do it with a bash script
eg:

#!/bin/bash
n=5 #number of rdf to calculate
g_rdf -n -s      <<+
$n  
$first  #the reference group
1
2
3
4
5
+

I hope this helps.
Saludos,
	Marcos


On Thursday 02 October 2003 09:57, you wrote:
> Hi there,
>
> is there any way not to run g_rdf interactively? what I mean is the
> following: I have many (>100) index files, and I want to run g_rdf with
> the first group in the index file as reference as the other for the
> distribution function. Doing it >100 times by hand is kind of annoying.
> I guess there is some line command which can do it, but somehow I
> couldn't figure it out.
> Thanks for your help,
> Kay.
>
>

-- 
Marcos Villarreal
Grupo de Biofisica
Departamento de Quimica Biologica - CIQUIBIC.
Universidad Nacional de Cordoba.
Cordoba. Argentina.
http://www.fcq.unc.edu.ar/ciquibic