[gmx-users] hbond correlation function
navjeet0211 at gmail.com
Fri Oct 22 10:46:42 CEST 2010
I would like to calculate the hydrogen bond correlation function
C(tau) for protein water hbonds and water-water hbonds. In the manual
it is written that using g_hbonds one can calculate C(tau), however it
does not say clearly how to calculate the C(tau) between different
groups present in the system for e.g. protein-water, water-water etc.
Any help in this regard would be highly appreciated.
Thanks and regards,
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