[AMBER] QM/MM atoms

From: Fernando Martín García <fmgarcia.cbm.uam.es>
Date: Wed, 22 Feb 2012 16:55:34 +0100

 Dear AMBER users,

 I'm trying to include some atoms in my QMMM simulation. As you suggest
 in the manual,I should cut in non-polar bonds to include side-chains.
 What would be the best way to include main chains of the residues (for
 example, a glycine)?

 Thank you 
-- 
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  FERNANDO MARTIN GARCIA
  GRUPO DE MODELADO MOLECULAR - LAB 312.1
  CENTRO DE BIOLOGíA MOLECULAR SEVERO OCHOA
  C/ NICOLáS CABRERA, 1.
  CAMPUS UAM. CANTOBLANCO, 28049 MADRID. SPAIN.
  TEL: (+34) 91-196-4662 FAX: (+34) 91-196-4420
  Web: http://fertoledo.wordpress.com/
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Received on Wed Feb 22 2012 - 08:00:03 PST
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