Hi,
I have a question regarding the calculation of hydrogen bond lifetimes in
g_hbond:
Line 1094 of gmx_hbond.c v 1.16.2.11 2006/04/02 (which is equivalent to
line 1121 of gmx_hbond.c v 1.28 2006/08/30) reads:
t = hb->time[i] - hb->time[0] - 0.5*dt;
leading to the time series 1, 3, 5,.. that does not correspond to my
sampling frequency of 2ps. This affects the calculation of x1 in the
immediate next line. My question is: Why is t defined in this way?
This question was posted in the past but did not find answer in the users
list.
Thanks!
Patricia
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