Swarm number remains 400 after using residue restraints about lightdock HOT 5 CLOSED

Check this issue #37 .Need to update the tutorial.

from lightdock.

Indeed, this is a problem with the tutorial, needs to be updated as @alchemistcai suggests.

from lightdock.

As a workaround, @zhl10154 please use -spr 10 during setup to fix the maximum number of swarms per restraints to 10 and having a similar number of swarms compared to the tutorial.

from lightdock.

As a workaround, @zhl10154 please use -spr 10 during setup to fix the maximum number of swarms per restraints to 10 and having a similar number of swarms compared to the tutorial.

Thanks, man. I tried -spr 10, swarm number reduced to 200 (it might calculated by 10*20, which 20 is number of restraints), it still takes a lot of time to compute. Is there anyway to make it self-adaptive？

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It is self-adaptive to the number of restraints and region to sample. If you wish to decrease the number, just tweak -spr according to your expectations. In case you want to reproduce the current tutorial, please reinstall lightdock at version 0.9.2. If you want to speedup calculations, use the Rust implementation of LightDock.

from lightdock.