[gmx-users] Hydrogen Bond Acceptor-Donor List
reach.anirban.ghosh at gmail.com
Thu Mar 25 05:09:33 CET 2010
Is there any way in GROMACS to get the residue list (acceptor-donor list)
for an entire simulation? Using g_hbond we get the number of h-bonds at
every frames. But I want to get the list of residue pairs forming those
hbonds at every frame. Any suggestion is welcome.
Thanks a lot in advance.
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