diff --git a/src/function/FuncPathMSD.cpp b/src/function/FuncPathMSD.cpp index 91a0e811fc805e62d2e5e16d75b48deda0ee7463..9c578b9fad42f382b0ecdc7bd6dc464ae938a7d8 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