[gmx-developers] Re: g_rotacf and correlation time

andre mabula amabula at science.uct.ac.za
Thu Oct 27 12:11:45 CEST 2005

Hi all,
I have done a simulation of a cyclic peptide in water and in a 
water/decane box.
I am now trying to calculate the rotational correlation time using 
g_rotacf. How to proceed exactly? How to write the appropriate index file?
University of Cape Town

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