[AMBER] Should I neutralize the models with Na+ or Mg2+ containing DNA and protein residues

From: Catein Catherine <askamber23.hotmail.com>
Date: Sun, 16 Aug 2009 05:18:28 +0100


Dear Sir/Madam,

 

Should I do neutralize the charges in DNA-protein complex with Na+ or Mg2+ (before adding solvent) when we generate the prmtop or inpcrd files? I found Na+ was used in the tutorial, but some paper used Mg2+, why?

 

Best regards,

 

Cat

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Received on Wed Aug 19 2009 - 22:42:35 PDT
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