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Martin Kurečka
Plumed AlphaFold
Commits
e6aeb00e
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Commit
e6aeb00e
authored
8 years ago
by
Giovanni Bussi
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doc and changelog
[makedoc]
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fd9ab320
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CHANGES/Unreleased.txt
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CHANGES/Unreleased.txt
user-doc/Modules.txt
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user-doc/Modules.txt
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@@ -22,6 +22,7 @@ Changes from version 2.2 which are relevant for users:
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@@ -22,6 +22,7 @@ Changes from version 2.2 which are relevant for users:
- Patch script `plumed patch` now patches by default with `--shared`. This should make the procedure more robust (see \issue{186}).
- Patch script `plumed patch` now patches by default with `--shared`. This should make the procedure more robust (see \issue{186}).
- Faster \ref GYRATION but new default behavior is not mass weighted
- Faster \ref GYRATION but new default behavior is not mass weighted
- Manual is now build with locally compiled plumed
- Manual is now build with locally compiled plumed
- It is not possible anymore to select modules using `modulename.on` and `modulename.off` files. Use `./configure --enable-modules` instead.
- New actions:
- New actions:
- \ref FIXEDATOM
- \ref FIXEDATOM
- \ref HBOND_MATRIX
- \ref HBOND_MATRIX
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user-doc/Modules.txt
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@@ -50,11 +50,8 @@ are available in plumed and tells you whether or not they are active by default.
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@@ -50,11 +50,8 @@ are available in plumed and tells you whether or not they are active by default.
@MODULES@
@MODULES@
Until PLUMED 2.1, the you could only switch on or off modules by adding files
Until PLUMED 2.2, it was also possible to switch on or off modules by adding files
in the plumed2/src directory:
in the plumed2/src directory. Since PLUMED 2.3 this is discouraged, since any choice made
- To activate a module add a file called modulename.on to the plumed2/src directory
in this manner will be overwritten next time `./configure` is used.
- To deactivate a module add a file called modulename.off to the plumed2/src directory
Obviously, in the above instructions modulename should be replaced by the name of the
module that you would like to activate or deactivate.
*/
*/
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