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Commit 39aa2dac authored by Giovanni Bussi's avatar Giovanni Bussi
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changelog

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...@@ -28,6 +28,7 @@ Changes from version 2.1 which are relevant for users: ...@@ -28,6 +28,7 @@ Changes from version 2.1 which are relevant for users:
- \ref MFILTER_BETWEEN - \ref MFILTER_BETWEEN
- \ref GRADIENT can be used to calculate the gradient of a quantity. Used to drive nucleation - \ref GRADIENT can be used to calculate the gradient of a quantity. Used to drive nucleation
- \ref CAVITY - \ref CAVITY
- \ref PUCKERING (thanks to Alejandro Gil-Ley).
- \ref WRAPAROUND to fix periodic boundary conditions. - \ref WRAPAROUND to fix periodic boundary conditions.
- New features for existing actions: - New features for existing actions:
- Keywords UPDATE_FROM and UPDATE_UNTIL to limit update step in a defined time window. - Keywords UPDATE_FROM and UPDATE_UNTIL to limit update step in a defined time window.
...@@ -38,6 +39,7 @@ Changes from version 2.1 which are relevant for users: ...@@ -38,6 +39,7 @@ Changes from version 2.1 which are relevant for users:
- \ref driver accepts a --mc flag to read charges and masses from a file produced during - \ref driver accepts a --mc flag to read charges and masses from a file produced during
molecular dynamics with \ref DUMPMASSCHARGE molecular dynamics with \ref DUMPMASSCHARGE
- Possibility to enable or disable \ref RESTART on a per action basis. - Possibility to enable or disable \ref RESTART on a per action basis.
- \ref MOLFILE now supports many more special names for rna and dna (thanks to Alejandro Gil-Ley).
- VMEAN and VSUM allow one to calculate the sum of a set of vectors calculated by VectorMultiColvar. Note these - VMEAN and VSUM allow one to calculate the sum of a set of vectors calculated by VectorMultiColvar. Note these
can also be used in tandem with \ref AROUND or \ref MFILTER_MORE to calculate the average vector within a particular can also be used in tandem with \ref AROUND or \ref MFILTER_MORE to calculate the average vector within a particular
part of the cell or the average vector amonst those that have a magnitude greater than some tolerance part of the cell or the average vector amonst those that have a magnitude greater than some tolerance
......
...@@ -182,7 +182,7 @@ equivalent. You should read the documentation for the Plumed 2 Action. ...@@ -182,7 +182,7 @@ equivalent. You should read the documentation for the Plumed 2 Action.
</TR> </TR>
<TR> <TR>
<TD> PUCKERING </TD> <TD> PUCKERING </TD>
<TD> <b> currently missing </b> </TD> <TD> \ref PUCKERING (5 membered rings only) </TD>
</TR> </TR>
<TR> <TR>
<TD> S_PATH </TD> <TD> S_PATH </TD>
......
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