[gmx-users] g_hbond never shows hbond with HW2
m.ebert at umontreal.ca
Fri May 1 17:28:47 CEST 2015
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,
More information about the gromacs.org_gmx-users