Hi, Just to clarify: The third column are the number of acceptor-donor pairs that fulfil the distance criterion but not the angle criterion.
Erik On 24 May 2013, at 09:06, CHEN Pan <evan.pan.c...@gmail.com> wrote: > 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 <maggin.c...@gmail.com> > >> # 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 gmx-users@gromacs.org >> 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 gmx-users-requ...@gromacs.org. >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
