[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [IMP-dev] NBL cleanup and other small patches



approximately similar radii. to me it seems a general purpose non-
bonded list is still too slow for most atomic calculations. from my
limited experience with the old code, it seemed like you need to gain
several magnitudes in computational speed to make the non-bonded list
usable for atomic applications.
I think you have to build with the command "scons release=1 ..." to turn off the extra checks. Otherwise things will be slow.