Release 1.0.3
Modeller
dependency is now installed via conda.
Fixed bug in package_for_fah
. Function also now uses renumbered topologies if available, and only outputs a single system and integrator file for each target
Modeller
dependency is now installed via conda.
Fixed bug in package_for_fah
. Function also now uses renumbered topologies if available, and only outputs a single system and integrator file for each target