Suppose we have two particles, A and B, which are connected to n other particles. To select the connected pairs, I use the MinimumPairRestraint function. This works fine because the n other particles can be connected to both A and B, with a certain preference depending on the size of A and B. The problem is that doing so I end up with all the n particles connected only to A (or only to B), and I know that there is a "saturation" limit, i.e. A and B can be connected to a maximum number of particles. That's why I would like to limit the maximum number of particles that can be connected to A and to B.
On Nov 28, 2011, at 7:51 PM, Daniel Russel wrote:
Just so I am clear, you would like to score based on something like - the minimum k harmonic distance restraints chosen from a set of n possible distance restraints such that at most m particles are involved?
If so, we don't have support for it now. What is the motivation for such a scoring function?
What I meant is if there's away of defining the maximum number of connected particles, i.e., if I define a set of restraint via the MinimumPairRestraint, can I set a limit to the number of particles that can be connected?
On Nov 28, 2011, at 4:39 PM, Daniel Russel wrote:
> Probably not, but what do you mean by that? What would happen when the maximum is exceeded?
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