[gmx-users] g_rotacf autocorrelation function

Yongchul Chung yxc169 at case.edu
Wed Mar 7 20:09:07 CET 2012


I am trying to locate code for angle auto-correlation function (ACF)
in GROMACS 4.0.7. Angle ACF is calculated by g_rotacf for GROMACS
(gmx_rotacf.c).  In line 194 of gmx_rotacf.c, it calls "do_autocorr".
This function is in gstat.h file line 125 - 185. But I don't see any
actual code which calculates the ACF; instead, I see that it again
passes the parameters to a functon called low_do_autocorr.

Does anyone know  where I can find the code for this function
(low_do_autocorr)? Thanks,


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