[gmx-users] [pairs] section

Nuno R. L. Ferreira nunolf at ci.uc.pt
Wed May 26 17:38:00 CEST 2004

Hi *

Just to put my ideas in order.
When writing an .itp file for a molecule, say a phospholipid, if the 1-4 
non-bonded interactions are already explicitly defined under *nb.itp, then it 
is not necessary to write again those interactions under [pairs] section of 
this phospholipid .itp.

Is this correct?

Best regards,

Nuno Ricardo Santos Loureiro da Silva Ferreira
Grupo de Química Biológica 
Departamento Química
Universidade de Coimbra

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