now printing to stdout the identify of the water molecules that are perturbed into ions if a co-alchemical water perturbation has been activated with SOMD1
Is this pull request to fix a bug, or to introduce new functionality?
If this is to fix a bug...
This pull request fixes issue #208
I confirm that I have merged the latest version of devel into this branch before issuing this pull request (e.g. by running git pull origin devel): [y]
I confirm that I have added a changelog entry to the changelog (we will add a link to this PR as part of the review): [y/n]
I confirm that I have permission to release this code under the GPL3 license: [y]
now printing to stdout the identify of the water molecules that are perturbed into ions if a co-alchemical water perturbation has been activated with SOMD1
Is this pull request to fix a bug, or to introduce new functionality?
If this is to fix a bug...
This pull request fixes issue #208
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]Suggested reviewers:
@chryswoods, @lohedges