> Message: 1 > Date: Tue, 26 Aug 2008 15:38:56 +0530 (IST) > From: [EMAIL PROTECTED] > Subject: [gmx-users] g_hbond output analysis > To: gmx-users@gromacs.org > Message-ID: <[EMAIL PROTECTED]> > Content-Type: text/plain;charset=iso-8859-1 > > hi > > i used the -num option for g_hbond run. since i new to gromacs i cannot > able to interpret the output form. it comes in 3 columns with the first > column indicating the frame, i dont know about the remaining two columns > > Kindly suggest > > Parthiban & sundar > > > > ------------------------------ > > Message: 2 > Date: Tue, 26 Aug 2008 12:13:55 +0200 > From: Florian Haberl <[EMAIL PROTECTED]> > Subject: Re: [gmx-users] g_hbond output analysis > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <[EMAIL PROTECTED]> > Content-Type: text/plain; charset="utf-8" > > Hi, > > On Tuesday, 26. August 2008, [EMAIL PROTECTED] wrote: >> hi >> >> i used the -num option for g_hbond run. since i new to gromacs i cannot >> able to interpret the output form. it comes in 3 columns with the first >> column indicating the frame, i dont know about the remaining two columns > > if you use > > g_hbond -h it tells you also if you have the legend inside the file (do > not > select -noxvgr) > > 2: Hydrogen bonds > 3: Pairs within 0.35nm (depends on your select cutoff radius) > > > >> >> Kindly suggest >> >> Parthiban & sundar >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.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 > > > greetings, > > Florian > > -- > ------------------------------------------------------------------------------- > Florian Haberl > Computer-Chemie-Centrum > Universitaet Erlangen/ Nuernberg > Naegelsbachstr 25 > D-91052 Erlangen > Telephone: +49(0) â 9131 â 85 26573 > Mailto: florian.haberl AT chemie.uni-erlangen.de > -------------------------------------------------------------------------------
Dear Florian & other users can you pls. explain me in detail about the 3rd column in the g_hbond output in -num option Parthi & sundar _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
