This version of BROOD has been built using OEToolkits 2019.Oct. The previous version was built using OEToolkits 2019.Apr.
Major bug fixes¶
A bug that caused CHOMP to crash in some cases when using
-userFraghas been fixed.
Minor bug fixes¶
A bug that caused the
-userUniqueflag of CHOMP to not parse absolute or relative paths correctly has been fixed.
CHOMP now properly runs in multi-node MPI mode when passing in a custom filter file.
CHOMP now honors
-maxHvyvalues greater than the default value of 15 for post-fragmentation filtering.
A segmentation fault caused by CHOMP’s failure to construct a valid molecule fragment has been fixed.