s0 legend "Hydrogen bonds" @ s1 legend "Pairs within 0.35 nm" 0 0 0 200 0 0 400 2 1 600 0 3 800 0 2 1000 1 0
Here is my question, since there is already one bond formed, then why there is none pairs in 1000? On Wed, Mar 16, 2011 at 3:16 PM, Jianguo Li <ljg...@yahoo.com.sg> wrote: > If I understand correctly, $2 is the number of hydrogen bonds defined by > cutoff distance and the cutoff angle. $3 is the number of pairs within the > cutoff distance, but beyond the cutoff angle. You may got different number > of hbonds using different cutoff distance and cutoff angle. > Jianguo > > ------------------------------ > *From:* ZHAO Lina <lnzha...@gmail.com> > *To:* Discussion list for GROMACS users <gmx-users@gromacs.org> > *Sent:* Wednesday, 16 March 2011 13:33:57 > *Subject:* [gmx-users] Re: g_hbond output > > @ legend length 2 > @ s0 legend "Hydrogen bonds" > @ s1 legend "Pairs within 0.35 nm" > 0 0 0 > 200 0 0 > 400 2 1 > 600 0 3 > 800 0 2 > 1000 1 0 > : > 50000 3 2 > > Here the situations, what's the $2 and $3 mean, why when $1=1000, $3=0 if > the $3 means pairs. > > I tried pymol, and on the last frame, > there were 4 hydrogen bonds, between 7 residues. it's different from here 3 > 2 > > Thanks and sorry for last email without my realization it sent. > > lina > > > -- > 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 >
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