From 2b9448197b87b88f6ad431f87f3de97f24f9d767 Mon Sep 17 00:00:00 2001 From: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com> Date: Wed, 22 Nov 2023 16:57:53 +0100 Subject: [PATCH] Change pdb no H error to warning. Signed-off-by: MtoLStoN <70513124+MtoLStoN@users.noreply.github.com> --- src/io/reader.f90 | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/src/io/reader.f90 b/src/io/reader.f90 index 9a2033ac0..5c3f96faf 100644 --- a/src/io/reader.f90 +++ b/src/io/reader.f90 @@ -86,9 +86,8 @@ subroutine readMolecule(env, mol, unit, ftype) if (allocated(struc%pdb)) then if (.not.any(struc%num == 1)) then - call env%error("PDB structure without hydrogen atoms found, "//& - &"aborting due to incomplete input geometry", source) - return + call env%warning("PDB structure without hydrogen atoms found, "//& + &"this is most likely an incomplete geometry!", source) end if end if