[gmx-users] g_rdf -surf

Mark Abraham Mark.Abraham at anu.edu.au
Mon Feb 13 08:06:28 CET 2012

On 13/02/2012 5:54 PM, Payman Pirzadeh wrote:
> Hello,
> I am trying to calculate the RDF of water next to surface of certain 
> residues. I used the an index file which includes the residues as the 
> first group, and the #12 option (SOL) in the g_rdf, and used the 
> option '--surf res' on the prompt.

Please supply the actual command line copied and pasted, as well as 
which groups you specified and what they contain. The information above 
is confusing.

> However, the calculated RDF rises up to 41000 in long distances. It 
> appears that it is normalized (as specified by the help). How can I 
> normalize this function?

If it's already normalized, what do you want to do? 41000 is what quantity?

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