18 Aug
2008
18 Aug
'08
5:30 p.m.
Here is a new patch which includes the get_interacting_particles code. It is not implemented for NonbondedRestraint as that did not appear to be currently needed and required a few changes to the nonbonded lists and so was not entirely trivial.
The other changes from the last version of the patch are:
- TripletChainRestraint now only has one chain (as with PairChainRestraint)
- There is a new PairScore RefineHighPairScore which refines high scoring pairs for use in hierarchical collision detection.