You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
The current default behavior if for GOMC to terminate with an error if the user specifies two simulation boxes as input. Perhaps it would be better to have GOMC print a warning that it was ignoring the second set of input files and continue to run?
The text was updated successfully, but these errors were encountered:
I guess there are two ways to look at it. Specifying two simulation boxes for an NVT or NPT simulation might be a mistake. We could consider issuing a warning message and running in expert mode.
If you think that a user wouldn't specify NVT or NPT instead of GEMC by mistake, and just have the extra box by mistake, then we can make the change. It's an easy patch. Just considering the options.
The current default behavior if for GOMC to terminate with an error if the user specifies two simulation boxes as input. Perhaps it would be better to have GOMC print a warning that it was ignoring the second set of input files and continue to run?
The text was updated successfully, but these errors were encountered: