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. :-)
Mark
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