[gmx-users] hbond correlation function

Navjeet Ahalawat navjeet0211 at gmail.com
Fri Oct 22 10:46:42 CEST 2010

Hi.. all

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,

Navjeet Ahalawat

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