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Martin Kurečka
Plumed AlphaFold
Commits
66aeb42d
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Commit
66aeb42d
authored
11 years ago
by
Giovanni Bussi
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Added note on molfile
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@@ -19,6 +19,8 @@ Changes from version 2.0 which are relevant for users:
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@@ -19,6 +19,8 @@ Changes from version 2.0 which are relevant for users:
- Added possibility to use negative strides in atom ranges (e.g. 10-1:-3).
- Added possibility to use negative strides in atom ranges (e.g. 10-1:-3).
- Added possibility to use \ref COORDINATION or \ref DHENERGY with NLIST in replica exchange simulations.
- Added possibility to use \ref COORDINATION or \ref DHENERGY with NLIST in replica exchange simulations.
- Added STRETCH flag to \ref switchingfunction.
- Added STRETCH flag to \ref switchingfunction.
- Added possibility to read trajectories from \ref driver using VMD molfile
plugin (requires VMD plugins to be compiled and installed)
Changes from version 2.0 which are relevant for developers:
Changes from version 2.0 which are relevant for developers:
- Added regtests for plumed as a library (e.g. basic/rt-make-0). plumed command has an additional
- Added regtests for plumed as a library (e.g. basic/rt-make-0). plumed command has an additional
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