Small fix to documentation of MolInfo

plumed · Nov 10, 2024 · 51f9aa5 · 51f9aa5 · PlumedBot · Nov 10, 2024
1 parent 8743e88
commit 51f9aa5
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/src/generic/MolInfo.cpp b/src/generic/MolInfo.cpp
@@ -208,10 +208,10 @@ Since PLUMED 2.6 it is possible to use the expressive selection syntax of [mdtra
 MOLINFO STRUCTURE=helix.pdb PYTHON_BIN=python
 g1: GROUP ATOMS=@mda:backbone
 g2: GROUP ATOMS={@mda:{resnum 1 or resid 3:5}}
-g3: GROUP ATOMS={@mda:{resid 3:5} @mda:{resnum 1}}
-g4: GROUP ATOMS={@mdt:{protein and (backbone or resname ALA)}}
-g5: GROUP ATOMS={@mdt:{mass 5.5 to 20}} # masses guessed by mdtraj based on atom type!
-g6: GROUP ATOMS={@mda:{resid 3:5} @mda:{resnum 1} 1-10}
+#g3: GROUP ATOMS={@mda:{resid 3:5} @mda:{resnum 1}}
+#g4: GROUP ATOMS={@mdt:{protein and (backbone or resname ALA)}}
+#g5: GROUP ATOMS={@mdt:{mass 5.5 to 20}} # masses guessed by mdtraj based on atom type!
+#g6: GROUP ATOMS={@mda:{resid 3:5} @mda:{resnum 1} 1-10}
 ```
 
 Here `@mda:` indicates that the `MDAnalysis` language is used, whereas `@mdt:` indicates that the `mdtraj` language is used. Notice that these languages typically select atoms in order. If you want to specify a different order, you can chain definitions as in `g3` above (compare with `g2`). Selections can be also chained with standard PLUMED selections (see `g6`).