[gmx-users] g_rotacf

[rams rams]

Dear users,

To calculate the rotational auto correlation functions, the command
mentioned in the maual is:

g_rotacf -P 1 -nparm 2 -fft -n index -o .xvg -fa  -beginfit -endfit

what are the -nparm and -fa options are meant for ?

Also do we need to use -fitfn option to obtain the rotational auto
correlation functions ??

Ram.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080902/0c502657/attachment.html>