[gmx-users] Ryckaert Bellemans

[Erol KURTISOVSKI]

Hi,
   
  the GROMACS Manual advises to use the Ryckaert-Bellemans parameters (function 3) in [dihedraltypes] for alcanes or aliphatic chains (for example in lipid or surfactant).
   
  Is it better than using function 1 and adding multiplicity, and why ?
   
  Thank you.
   
  Erol

		
---------------------------------
 Appel audio GRATUIT partout dans le monde avec le nouveau Yahoo! Messenger
 Téléchargez le ici !  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051124/775addad/attachment.html>