RDF.tcl selections

From: Rabab Toubar (rtoubar_at_yahoo.com)
Date: Mon Jun 07 2010 - 13:40:56 CDT

Hi,

If I want to measure the g(r) of the protein, would it be more representative to include the whole protein or just the CAs? And should I specify both selections as the "protein" or selection 1 as "protein" while the other as "water"

I basically want to compare 2 different trajectories to see which one has more solvation shells around it so as to assess their wettability/hydrophilicity

Thanks

Rabab Toubar

      

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