genion should treat a combination of -nn (or -np) with -conc better
Documentation for genion -conc notes that it overrides -nn and -np, but the output should say something specific about what is happening.
Some discussion here: http://lists.gromacs.org/pipermail/gmx-users/2013-March/079649.html
#3 Updated by Teemu Murtola almost 4 years ago
- Status changed from Resolved to Feedback wanted
I don't think that the mentioned commit actually addresses the problem reported here: it affects how -neutral interacts with the various options, but does not alter the output in the reported case in any way.
From the code, it seems that genion already prints out the number of ions it intends to add (and that may be different from those given with -nn and/or -np), but perhaps it should be even more explicit.
#5 Updated by Pedro Lacerda almost 4 years ago
I added an warning about -conc overriding -nn or -np in the associated revision. I'm happy you accepted my changes.
I thought that the commit line "Fixes ..." would close this issue automatically. It was because "and" preceded the issue ID, or because the status is "feedback wanted"?