[gmx-users] g_rotacf again

[Rama Gullapalli]

Hello everybody.
I have question regarding g_rotacf

If I wanted to compute the rotational correlation function of a linear vector which is between the "centers of masses" of two groups of atoms in an individual molecule (Instead of two atoms), how do I go about it?

Can I use g_rotacf to do it ?
Thanks in advance
Rama




 		
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