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Commit b17a0ed2 authored by Giovanni Bussi's avatar Giovanni Bussi
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Merge branch 'v2.0' into v2.1

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/** /**
\page moving Moving from Plumed 1 to Plumed 2 \page moving Moving from Plumed 1 to Plumed 2
Syntax in PLUMED 2 has been completely redesigned. The main difference is that
whereas in PLUMED 1 lines could be inserted in any order,
in PLUMED 2 the order of the lines matters. This is due to a major change in
the internal architecture of PLUMED. In version 2, commands (or "actions") are
executed in the order they are found in the input file.
Because of this, you must e.g. first compute a collective variable and then print it
later. More information can be found in the Section about \ref Syntax.
Another very important change is in the way groups are used, discussed below.
Finally, many features appear under a different name in the new version.
\section moving-Groups Groups
In Plumed 1 groups (lists) were used for two tasks: In Plumed 1 groups (lists) were used for two tasks:
- To provide centers of masses to collective variables such as distances, angles, etc. This is - To provide centers of masses to collective variables such as distances, angles, etc. This is
now done by defining virtual atoms using either \ref CENTER or \ref COM now done by defining virtual atoms using either \ref CENTER or \ref COM
...@@ -11,7 +24,7 @@ If you would still like to use groups you can use the \ref GROUP commands. When ...@@ -11,7 +24,7 @@ If you would still like to use groups you can use the \ref GROUP commands. When
for a \ref GROUP action appears in the input it is replaced by the list of atoms that were for a \ref GROUP action appears in the input it is replaced by the list of atoms that were
specified in the \ref GROUP. specified in the \ref GROUP.
\section Directives \section moving-Directives Directives
What follows is a list of all the documented directives of Plumed 1 together with their What follows is a list of all the documented directives of Plumed 1 together with their
plumed 2 equivalents. Be aware that the input syntaxes for these directives are not totally plumed 2 equivalents. Be aware that the input syntaxes for these directives are not totally
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