[gmx-users] rotational correlation function

Paymon Pirzadeh ppirzade at ucalgary.ca
Wed Sep 22 20:07:27 CEST 2010

Imagine if the total correlation function of a protein could be
factorized into rotational and internal portions:
Ctot(t)=Crot(t)*Cint(t). With which commands I can calculate the Ctot(t)
and with which I can get the Crot(t)? Does g_rotacf produce the Crot(t)?
What does the g_rms -fit do? I am confused on how I can use gromacs
commands on my output files. Sorry for mass of e-mails.


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