genion writes a log file
Posted to the list, but got no reply:
Looks like the .tpr file is interpreted as being for a simulation instead of just adding ions. This output .log file is useless, and probably would confuse new users so it should be eliminated. Problem is reproducible in 4.5.2 and 4.5.3, but those versions aren't in the list so I indicated git since it's newer than 4.5.1.
#3 Updated by Mark Abraham almost 6 years ago
- Status changed from New to Accepted
- Assignee set to Mark Abraham
- Target version set to 5.0
- Affected version set to 4.5.3
Writing a .log file is probably an artefact of the genion feature to place ions where the potential suggests. That's been stated as buggy since at least 2006. So I will propose to deprecate that feature, and now it will be trivial to avoid writing a useless .log file for genion.