[gmx-users] Hydrogen Bond Acceptor-Donor List

Anirban Ghosh 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.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100325/718554b4/attachment.html>

More information about the gromacs.org_gmx-users mailing list