[gmx-users] Meaning of bPBC

[Gu, Xiang]

Hi,

I'd like to ask the exact meaning of the bool variant bPBC, especially 
in domdec.c. What does it exactly mean? It should relate to periodic 
boundary condition I think. I had a system bounded by periodic boundary 
condition on all 3 directions, and I used 4 nodes for simulation. The 
system was found to be domain-decomposed on x direction into 4 pieces of 
equal size; but bPBC was 1,0,0,0 for nodes 0,1,2,3 respectively. 
Therefore I was a bit confused about its meaning, Can anyone help me 
explaining that?

Thanks and with best wishes!

Xiang Gu

-- 
_____________________________________________________
Xiang Gu, PhD, Postdoctoral Research Fellow
Department of Applied Physics
Helsinki University of Technology (TKK), Finland
Tel: +358-9-470 23137
Email: xgu at cc.hut.fi
http://tfy.tkk.fi/soft/