From 8b984aef4a6984514d949a700803767a517d6009 Mon Sep 17 00:00:00 2001 From: Gareth Tribello <gareth.tribello@gmail.com> Date: Sat, 27 Jul 2019 20:13:32 +0200 Subject: [PATCH] Small changes to examples in MolInfo so they run --- src/setup/MolInfo.cpp | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/setup/MolInfo.cpp b/src/setup/MolInfo.cpp index bcc7ad1ef..1ad655d1e 100644 --- a/src/setup/MolInfo.cpp +++ b/src/setup/MolInfo.cpp @@ -168,10 +168,10 @@ The following example prints the distance corresponding to the hydrogen bonds in a GC Watson-Crick pair. \plumedfile -MOLINFO STRUCTURE=reference.pdb -hb1: DISTANCE ATOMS=@N2-1,@O2-14 -hb2: DISTANCE ATOMS=@N1-1,@N3-14 -hb3: DISTANCE ATOMS=@O6-1,@N4-14 +MOLINFO STRUCTURE=reference.pdb MOLTYPE=dna +hb1: DISTANCE ATOMS=@N2-2,@O2-15 +hb2: DISTANCE ATOMS=@N1-2,@N3-15 +hb3: DISTANCE ATOMS=@O6-2,@N4-15 PRINT ARG=hb1,hb2,hb3 \endplumedfile -- GitLab