[gmx-users] angular removal of COM and domain decomposition

[XAvier Periole]

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.