[gmx-users] structural factor with g_rdf

[Luciano Costa]

Hi gmx' users,

I have a program that calculate the structural factor of a system, but I was
trying perform Sk calculations with g_rdf using this:

prompt> g_rdf -f -n index.ndx -sq -startq 0 -endq 8 -grid 0.05

when I had problem. Look this :

Fatal error:
Need a tps file for calculating structure factors

I did search in the list and I didn't see an answer for this. Could any help
me with this ?!?!




--
### Luciano Tavares da Costa ###
##       MSc. Eng. Químico
##       100 % Linux
#############################
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060405/0799425e/attachment.html>