[gmx-users] periodic boundary conditions

Marc Vogt mvogt at es.chem.umass.edu
Mon Mar 22 23:32:00 CET 2004

I'm trying to run simulations with periodic boundary conditions and recently
found the follwing lines in my .log file

Removing pbc first time
Done rmpbc

I have pbc = xyz in the mdp file

are the periodic conditions being turned off?
do I need to set set GMXFULLPBC equal to 1?  What is the purpose of this
environment variable?  I can't find it in the manual (3.2) appendix.
Is it no longer an environment variable in 3.2?



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