COSMO-SMD Initialization (regarding solvent accessible surface area)

Click here for full thread

Forum Regular

5:38:04 PM PST - Mon, Jan 4th 2016
Hi Tom, Thanks for the update. The GA related compilation variables will be in config.log file (/src/tools/build). For all the NWChem settings, you should have a log of all the environment settings before you started the compilation. Please also try Edo's suggestion. That might help pin this down further. Best, -Niri