[gmx-users] Minimisation - particle decomposition
Mark.Abraham at anu.edu.au
Fri Sep 4 08:52:57 CEST 2009
Chih-Ying Lin wrote:
> No matter
> pbc = no or pbc = xyz
> Energy Minimisation is required with particle decomposition.
> That is, mdrun -pd is required.
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. :-)
More information about the gromacs.org_gmx-users