On Sun, Sep 18, 2011 at 5:07 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote:
> On 19/09/2011 2:02 AM, Steven Neumann wrote: > >> Hi Gromacs Users, >> Can anyone explain me why in g_bond the distance is takes <= 3.5nm. >> > > If you mean g_hbond, and are using units incorrectly, 0.35nm would be a > characteristic distance cut-off for deciding whether a hydrogen bond might > exist.... > > That is what I already know... > > > It is said that it comes from the first minimum o RDF of Oxygen atoms in >> SPC water model. I am sorry, but I just do not catch this. Thank you in >> advance. >> > > Said where? About what? :) > > Mark > About cutoff 0.35 nm. See Manual 4.5.4 - page 213 and Figure 8.3 - RDF of O-O atoms in SPC water model. Can you explain this 0.35 nm value as a first minima? > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> >
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