AMBER Archive (2009)

Subject: [AMBER] ptraj-radial distribution function

From: Nancy (nancy4619_at_163.com)
Date: Thu Jul 16 2009 - 01:34:12 CDT

Dear amber users and experts,
   I have three kinds of carbon nanotubes which are different in diameter,and they can contain one water chain ,two water chains,four water chains.I calculated radial distribution of water in carbon nanotubes with the command:
trajin cc_md2.mdcrd
radial rdf 0.5 30 :WAT
But results are the same ,only one peak which is out of my expect.I hope that there are one peak, two peaks, four peaks in different diameter's carbon nanotubes. What's more ,i don't understand well what is the differnce of three output rdf files even i have read the manul .Can anybody give me some advice ? Thanks in advance!
Nancy
 
 
     


  • application/octet-stream attachment: rdf.doc

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