[phenixbb] Can the Update Waters routine ignore specified waters?
nechols at lbl.gov
Tue Apr 3 09:44:41 PDT 2012
On Tue, Apr 3, 2012 at 9:40 AM, Engin Özkan <eozkan at stanford.edu> wrote:
> that now. Moreover, it used to be that links/restraints from previous GUI
> runs would be silently kept by default, and in your next phenix.refine run,
> your restraints are just plain wrong (I think Nat has changed or is changing
> that behavior, thanks!).
If you generate new restraints in the current nightly builds, it will
handle them more sensibly. Restoring parameters from runs in older
versions will still keep the previously defined restraints, but there
are now multiple ways to edit and/or delete them - previously it was
much less obvious.
More information about the phenixbb