[gmx-users] periodic boundary conditions
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
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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