Hi Maggin, The middle column is the total number of hydrogen bonds in your system under the definition of the hydrogen bonds criteria you have defined (here you used the default value). The third column is the number of acceptor-donor paris in the system. The first column is the simulation time, your trajectory file are saved every 2 ps right? If you use "xmgrace bovin_hnum.xvg", you can easily find what's the meaning of the second and third column.
Pan 2013/5/24 maggin <[email protected]> > # This file was created Fri May 24 13:03:14 2013 > # by the following command: > # g_hbond -f traj_all_md.trr -s md_0_1_next1.tpr -num bovin_hnum.xvg > # > # g_hbond is part of G R O M A C S: > # > # Green Red Orange Magenta Azure Cyan Skyblue > # > @ title "Hydrogen Bonds" > @ xaxis label "Time (ps)" > @ yaxis label "Number" > @TYPE xy > @ view 0.15, 0.15, 0.75, 0.85 > @ legend on > @ legend box on > @ legend loctype view > @ legend 0.78, 0.8 > @ legend length 2 > @ s0 legend "Hydrogen bonds" > @ s1 legend "Pairs within 0.35 nm" > 0 74 517 > 2 73 515 > 4 69 515 > 6 69 529 > 8 78 525 > 10 74 517 > 12 68 516 > 14 68 524 > 16 71 520 > ........ > hi, anybody can tell me at here if Hydrogen bonds Refers to the middle > column: 74,73,69,69,78,74,68,68,71 > > Thank you ! > > maggin > > > > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/g-hbond-tp5008507.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
