Re: possibility of having particle with no (or minimize) interaction

[Rudolf Weeber]

Hi Ahmad,
> 
> Actually, I need the LJ repulsion to separate the particles enough (warm up). 
> After warming up, I try to use exclusions function to remove the non-bonded 
> interactions between the pairs but when I put system.part.exclusions in a 
> loop I cannot remove all of them. It seems that the last index of the loop 
> only works.
You can disable the LJ interactio afer the warmup, by setting new parameters 
with espilon=0 and sigma=0.
This is preferrable over exclusions.


If you neex exclusions for some reason, then, according to the UG it should be 
(for the particl p1)
for partner in system.part:
    if partner.id != p1.id: pa.add_exclusion(partner) # or maybe partner.id

Regards, Rudolf