From 2ac6b2eb4876750dca6e1d96d816d7c61bd052b8 Mon Sep 17 00:00:00 2001 From: Gareth Tribello <gareth.tribello@gmail.com> Date: Sat, 27 Jul 2019 19:50:56 +0200 Subject: [PATCH] Fixed examples in FuncPathMSD --- src/function/FuncPathMSD.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/function/FuncPathMSD.cpp b/src/function/FuncPathMSD.cpp index 91a0e811f..9c578b9fa 100644 --- a/src/function/FuncPathMSD.cpp +++ b/src/function/FuncPathMSD.cpp @@ -50,9 +50,9 @@ Here below is a case where you have defined three frames and you want to calculate the progress along the path and the distance from it in p1 \plumedfile -t1: RMSD REFERENCE=frame_1.dat TYPE=OPTIMAL SQUARED -t2: RMSD REFERENCE=frame_21.dat TYPE=OPTIMAL SQUARED -t3: RMSD REFERENCE=frame_42.dat TYPE=OPTIMAL SQUARED +t1: RMSD REFERENCE=frame_1.pdb TYPE=OPTIMAL SQUARED +t2: RMSD REFERENCE=frame_21.pdb TYPE=OPTIMAL SQUARED +t3: RMSD REFERENCE=frame_42.pdb TYPE=OPTIMAL SQUARED p1: FUNCPATHMSD ARG=t1,t2,t3 LAMBDA=500.0 PRINT ARG=t1,t2,t3,p1.s,p1.z STRIDE=1 FILE=colvar FMT=%8.4f \endplumedfile -- GitLab