[gmx-users] Rotational correlation function - regd

Dear Gromacs users, I am interested in calculating rotational correlation function for my system, parallel to Z- axis and perpendicular to Z-axis(lateral), how can I do this by using gromacs tool "g_rotacf". As the g_rotacf has the option to calculate total rotat

[gmx-users] rotational correlation function

Hello, 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 a