From 57e070798e32d9620b5e7db98c101b98b724653f Mon Sep 17 00:00:00 2001 From: Erik Lindahl Date: Wed, 25 Jun 2014 15:28:14 +0200 Subject: [PATCH] Avoid warnings about coupling when free_energy=no At least during free energy testing it is irritating to get a new warning about the molecule listed in couple-mol not being decoupled when we disable free energy - that is why we are disabling it. Changing the warning to a note, since it is really a note to to help, not something that will result in a bad simulation. Change-Id: If56061be0ff784aeedfc31b92532927ab562392c --- src/gromacs/gmxpreprocess/readir.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/gromacs/gmxpreprocess/readir.c b/src/gromacs/gmxpreprocess/readir.c index 5fbede033e..1cfdf9b690 100644 --- a/src/gromacs/gmxpreprocess/readir.c +++ b/src/gromacs/gmxpreprocess/readir.c @@ -2352,7 +2352,7 @@ void get_ir(const char *mdparin, const char *mdparout, } else { - warning(wi, "Can not couple a molecule with free_energy = no"); + warning_note(wi, "Free energy is turned off, so we will not decouple the molecule listed in your input."); } } /* FREE ENERGY AND EXPANDED ENSEMBLE OPTIONS */ -- 2.22.0