[gmx-users] g_rdf query

Anirban Ghosh reach.anirban.ghosh at gmail.com
Thu Jun 2 09:52:00 CEST 2011


Hi ALL,

I am using in calculating the distribution of a solvent around the COM of a
protein chain using g_rdf. When I plot the output file (attached) I get a
curve which increases first (from 1 to a value of about 2.5) and then
decreases to x-axis values ranging from 1 to 5. If I understand correctly
then x-axis values represent the radius of calculation around the protein.
right? It says "r". Whats its unit? And what does the y-axis values stand
for? Can someone please explain me the g_rdf plot attached here.
Thanks a lot in advance.


Regards,

Anirban
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