[gmx-users] Whats the difference between pbc = xyz and pbc = full?

Gale, Ella ella.gale at imperial.ac.uk
Fri Jun 23 11:24:36 CEST 2006


I'm using GROMACS-3.2.1 and I notice it has 2 periodic boundary conditions 'xyz' and 'full'

Could anyone enlighten me as to what the difference in implimentation of these two options is, please? And also what types of systems they are designed to work on.                                                                                                                                                                                                                                                                                                                                        The 'full' option is not mentioned in the manual.

Thank you in advance,

Ella Gale 
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