[gmx-users] g_hbond never shows hbond with HW2

Ebert Maximilian m.ebert at umontreal.ca
Fri May 1 17:28:47 CEST 2015

Dear list,

I discovered something strange today. In my hbond search i find only HW1 of the water forming a hydrogen bond as donor hydrogen and never HW2. Is this due to the fact that I am using SPC water? I can see the atom IDs of HW2 in the [ donors_hydrogens_Water ] entry in the ndx file. So technically GROMACs searched for HW2 donor connections but never finds any. However, thousands of hbonds are found with HW1.

Any thoughts on that? Thanks,


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