[gmx-users] RDF - first minimum of O-O
s.neumann08 at gmail.com
Sun Sep 18 18:16:05 CEST 2011
On Sun, Sep 18, 2011 at 5:07 PM, Mark Abraham <Mark.Abraham at 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
> 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
> Said where? About what? :)
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
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