Skip to content

Remove warning for element changes #1961

@hannahbaumann

Description

@hannahbaumann

Remove this user warning:
UserWarning: Element change in mapping between atoms Ligand A: 0 (element 8) and Ligand B: 0 (element 6)
No mass scaling is attempted in the hybrid topology, the average mass of the two atoms will be used in the simulation

This has been tested sufficiently.

Metadata

Metadata

Assignees

Labels

No labels
No labels

Type

No type

Projects

No projects

Relationships

None yet

Development

No branches or pull requests

Issue actions