FAQ | This is a LIVE service | Changelog

Include some kind of tolerance in the scattering computation for the eLLG in the case of maps

In the test case of the map as model haemoglobin (2qss with 3488), at the stage of computing the expected LLG the following error appears and it is due to the small difference in scattering. This should be considered in some way

Model scattering 196936

Total scattering 196754

ERROR (INPUT): Model scattering higher than total scattering

Edited by Claudia Millan Nebot