[gmx-users] Hydrogen bond correlations do not start from 1

Apramita Chand apramita.chand at gmail.com
Thu Sep 6 17:04:00 CEST 2018

Dear All,
Upon using the g_hbond command with -ac option to calculate forward
lifetime,I see that the C(t) does not start from one and keeps varying for
different systems like it starts from 0.8 or 0.6 etc...
I have tried the normalize flag but to no avail.

Will the lifetime output be reliable?
This is for simulations that do not show any warning about the correlation
time being not long enough.

Please help

Yours sincerely,

More information about the gromacs.org_gmx-users mailing list