I used radial in ptraj to calculate the rdf of water molecule.
When I plot my rdf_new_standard.xmgr this is not normalized and higest peak
at a density of 3 is observed whereas
when I plot the rdf_new_carnal.xmgr this is normalized a 1 .
My second question is on use of different solvents other than water what
change should I make in my input .
Which output should I use for my plots
Thankful for any suggestion
Kirtana
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Received on Fri Sep 16 2011 - 10:30:03 PDT
