[gmx-users] Re: HB lifetime in g_hbond

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 doe

[gmx-users] HB lifetime in g_hbond

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,.. th