diff --git a/user-doc/Miscelaneous.md b/user-doc/Miscelaneous.md index 30f8557d811b1143585f5e8bc95629f60d6c4170..d6b5defa69a526d599fcfac13e9a05fe6ce7caaa 100644 --- a/user-doc/Miscelaneous.md +++ b/user-doc/Miscelaneous.md @@ -23,7 +23,7 @@ erm... yes add lines of comments or trailing comments to your hearts content as \plumedfile # This is the distance between two atoms: -DISTANCE ATOM=1,2 LABEL=d1 +d1: DISTANCE ATOMS=1,2 UPPER_WALLS ARG=d1 AT=3.0 KAPPA=3.0 LABEL=Snout # In this same interlude it doth befall. # That I, one Snout by name, present a wall. \endplumedfile @@ -61,8 +61,7 @@ DISTANCES ... Notice that the closing `...` is followed by the word `DISTANCES`. This is optional, but might be useful to find more easily which is the matching start of the statement. The following is equally correct \plumedfile -DISTANCES ... - LABEL=dist +dist: DISTANCES ... # we can also insert comments here ATOMS1=1,300 # multiple kewords per line are allowed @@ -313,6 +312,8 @@ learn more. In case you want to use this feature, we suggest you to put both label and action type on the first line of multi-line statements. E.g. \plumedfile +d: DISTANCE ATOMS=1,2 + m: METAD ... ARG=d HEIGHT=1.0 @@ -322,10 +323,14 @@ m: METAD ... \endplumedfile will be folded to \verbatim +d: DISTANCE ATOMS=1,2 + +-- 6 lines: m: METAD ...------------------------------------------------------ \endverbatim and \plumedfile +d: DISTANCE ATOMS=1,2 + METAD LABEL=m ... ARG=d HEIGHT=1.0 @@ -335,6 +340,8 @@ METAD LABEL=m ... \endplumedfile will be folded to \verbatim +d: DISTANCE ATOMS=1,2 + +-- 6 lines: METAD LABEL=m ...------------------------------------------------- \endverbatim This will allow you to easily identify the folded lines by seeing the most important information, @@ -464,8 +471,8 @@ INCLUDE FILE=filename So, for example, a single "plumed.dat" file: \plumedfile -DISTANCE ATOMS=0,1 LABEL=dist -RESTRAINT ARG=dist +DISTANCE ATOMS=1,2 LABEL=dist +RESTRAINT ARG=dist AT=2.0 KAPPA=1.0 \endplumedfile could be split up into two files as shown below: @@ -487,7 +494,7 @@ is not possible to do things like: \plumedfile # this is wrong: DISTANCE INCLUDE FILE=options.dat -RESTRAINT ARG=dist +RESTRAINT ARG=dist AT=2.0 KAPPA=1.0 \endplumedfile \page load Loading shared libraries