[gmx-users] g_rdf

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Thu Oct 2 15:44:01 CEST 2003

Hi, just name the index files as index_1,ndx, index_2.ndx...index_N.ndx

then write the script file:

while [ $c -le N ]; do
     let c=c+1

g_rdf -f *.trr -s *tpr -n index_${c}.ndx -o rdf_${c}


Hope it helps.


On Thu, 2 Oct 2003, Kay Gottschalk 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.
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