- "instead.[PAR]",
-
- "When [TT]name[tt] selection keyword is used together with PDB input",
- "files, the behavior may be unintuitive. When Gromacs reads in a PDB",
- "file, 4 character atom names that start with a digit are transformed",
- "such that, e.g., 1HG2 becomes HG21, and the latter is what is matched",
- "by the [TT]name[tt] keyword. Use [TT]pdbname[tt] to match the atom name",
- "as it appears in the input PDB file.",
+ " atomnr 10 11 12 13",
+ " atomnr 12 13 10 11",
+ " atomnr 10 to 13",
+ " atomnr 13 to 10",
+ "",
+ " If you need atoms/positions in a different order, you can:",
+ "",
+ " * use external index groups (for some static selections),",
+ " * use the [TT]permute[tt] keyword to change the final order, or",
+ " * use the [TT]merge[tt] or [TT]plus[tt] keywords to compose the",
+ " final selection from multiple distinct selections.",
+ "",
+ "* Due to technical reasons, having a negative value as the first value in",
+ " expressions like ::",
+ "",
+ " charge -1 to -0.7",
+ "",
+ " result in a syntax error. A workaround is to write ::",
+ "",
+ " charge {-1 to -0.7}",
+ "",
+ " instead.",
+ "",
+ "* When [TT]name[tt] selection keyword is used together with PDB input",
+ " files, the behavior may be unintuitive. When GROMACS reads in a PDB",
+ " file, 4 character atom names that start with a digit are transformed",
+ " such that, e.g., 1HG2 becomes HG21, and the latter is what is matched",
+ " by the [TT]name[tt] keyword. Use [TT]pdbname[tt] to match the atom name",
+ " as it appears in the input PDB file.",