diff --git a/src/colvar/PathMSD.cpp b/src/colvar/PathMSD.cpp index 63db7e32dd2db26647134e37a3ea5ce9d4262100..fd93c8c82b081fb4264a20615673ed61b850b283 100644 --- a/src/colvar/PathMSD.cpp +++ b/src/colvar/PathMSD.cpp @@ -51,6 +51,8 @@ note that NEIGH_STRIDE=4 NEIGH_SIZE=8 control the neighborlist parameter (option recommended for performance) and states that the neighbor list will be calculated every 4 timesteps and consider only the closest 8 member to the actual md snapshots. +In the REFERENCE PDB file the frames must be separated either using END or ENDMDL. + \note The implementation of this collective variable and of \ref PROPERTYMAP is shared, as well as most input options.