[gmx-users] Minimisation - particle decomposition

Mark Abraham Mark.Abraham at anu.edu.au
Fri Sep 4 08:52:57 CEST 2009

Chih-Ying Lin wrote:
> Hi
> No matter
> pbc = no or  pbc = xyz
> Energy Minimisation is required with particle decomposition.
> That is, mdrun -pd  is required.
> Why?

Who can tell? You've described nothing about what you're trying to do, 
presupposed that pbc was relevant, and announced that a bizarre 
requirement exists without bothering to provide the actual error 
messages. This is like walking down to the car mechanic, telling them 
you have a catalytic converter, pointing out that you think you need the 
headlights on to turn left, and asking them why. :-)


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