[gmx-users] g_rotacf

David van der Spoel spoel at xray.bmc.uu.se
Fri Sep 22 18:22:29 CEST 2006

On Fri, 22 Sep 2006, Rama Gullapalli wrote:

>Hello everybody,
>  I have nearly 100 different vectors to analyse using g_rotacf. I was  wondering if there was anyway to do this in GROMACS simultaneously  since g_rotacf does not have have the -ng option like in g_traj or  others.


>  I would imagine one could use a awk script to run g_rotacf to run a  hundred times, but I am not sure how to go about it. If anyone can  provide me with pointers on that it would be great
>  Thanks in advance
>  Rama
>Talk is cheap. Use Yahoo! Messenger to make PC-to-Phone calls.  Great rates starting at 1¢/min.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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