[gmx-users] RDF - first minimum of O-O

Mark Abraham Mark.Abraham at anu.edu.au
Sun Sep 18 18:07:09 CEST 2011

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....

> 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? :)


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