AMBER Archive (2006)

Subject: AMBER: RDF problem

From: Esther Brugger (esther_brugger_at_yahoo.com)
Date: Tue Dec 12 2006 - 13:45:14 CST

Dear Amber Users,
   
  I have a basic question for the RDF calcuation by "radial" command in the Ptraj.
  Since in the calculation, I can specify several mask atoms, (for example:
  radial output.dat 0.05 15 :1_at_N1,H9 :1_at_N,H) does AMBER pick a centriod between the selected atoms to place a dummy atom and then the distances between those dummy atoms are plotted? And also I only get standard.xmgr and volumn.xmgr file after calculations, I didn't get carnal.xmgr, is there something wrong for that?
   
  Thank you very much for your help!
   
  All the bests,
  Ping

Esther B.

 
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