7 Nov
2007
7 Nov
'07
4:54 p.m.
Ben Webb wrote: > I was going to write the DerivativeAccumulator code today, since (as > Daniel also points out) it's useful regardless of whether we want > weights (e.g. if we want to sum derivatives as plnp rather than just p). > But if somebody else wants to write it, let me know!
OK, so there is a very simple first approximation to a DerivativeAccumulator class in r553, and RestraintSets as of r554 will weight their child restraints (and have a set_weight() method). We can break/fix this with future commits. ;)
Ben
--
ben@salilab.org http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle