[AMBER] PBC

From: Fernando Martín García <fmgarcia.cbm.uam.es>
Date: Tue, 10 Apr 2012 12:40:51 +0200

 Dear Amber users,

 We are performing a long MD and we have observe a perturbation in one
 residue that have been stable during the whole simulation, until it has
 reached the limit of the water box (we are using PBC isotropic
 conditions) and we are asking if the change of the conformation could
 have been provoked by a pressure change in the limit of the box.

 Best regards, 

-- 
 ==============================================
  Fernando Martín García
  Molecular Modelling Group - Lab 312.1
  Molecular Biology Center "Severo Ochoa"
  C/ NICOLáS CABRERA, 5.
  UAM University. 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 Tue Apr 10 2012 - 04:00:04 PDT
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