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 1ยข/min.
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php