Dears,
mdrun complains when I am asking for the angular removal of the COM
together
with dynamic load balance on (with gmx-4.0.4). It says the combination
is not
implemented and suggests to use particle decomposition, which is
unfortunately
much much slower.
What would happen if the use of angular removal of the COM was
"imposed" in a
subroutine implemented in an in house version (mean field boundary
potential)?
The code does not through the check_dd_restrictions so it is actually
running but
it is actually difficult to see what the removal of the COM does.
Anyone would have an idea? may be Berk?
Thanks,
XAvier.
--------------------------------
XAvier Periole
MD-Group / Groningen
The Netherlands.
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