[gmx-users] find hbond between different groups during simulation

Mahboobe Sadr sadr.mahboobe1989 at gmail.com
Wed Jan 20 10:08:25 CET 2016


Dear all,

I want to find hydrogen bonds between waters and The protein. since in each
frame I selected some specifc waters, I want to find hydrogen bonds during
simulation for different waters(which are in the pore of the protein) and
the protein.
 as  "g_hbond" doesn't any option like "-select" in "gmx distance", I
couldn't find the hbond i want.

Thank you in advance.


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