----- Original Message ----- From: Anirban Ghosh <[email protected]> Date: Thursday, March 25, 2010 15:10 Subject: [gmx-users] Hydrogen Bond Acceptor-Donor List To: Discussion list for GROMACS users <[email protected]>
> Hi ALL, > > 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. Try the same thing I just did - read g_hbond -h carefully. It can print the existence matrix. Mark -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
