I think the problem is that the list of particles the connectivity restraint ends up with is [p0,p1...p5]. You should just give it two particles, one for each protein (with radius and center computed from a sphere cover, or with the distance computed using a particle refiner). I doubt the code below ever really did what you wanted (although it might have happened to agree:-)
I can explain better once I'm back in the US in two days.
On Sep 21, 2009, at 2:30 PM, Friedrich Foerster <">> wrote:
hi all,
i noticed that the connectivity restraint must have changed at some point:
i want to impose a restraint on two proteins, each consisting of
several particles. thus, i am interested in restraining the closest
pair between the two proteins. whereas the following code did what i
need previously it now calculates all against all distances (including
intra-protein distances) - which is not what i want.
i'd be grateful if anyone could tell me how i need to change my pseudo code: