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Commit d32f1187 authored by Giovanni Bussi's avatar Giovanni Bussi
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changelog

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......@@ -47,6 +47,9 @@ Changes from version 2.4 which are relevant for users:
- \ref RMSD calculation has been optimized. This should positively affect the performances of CVs where
many RMSDs are computed on small groups of atoms, such as secondary structure variables.
- In \ref METAD, when using a bias factor equal to one (no bias) the `rct` component is set to zero rather than to one.
- New shortcuts are available for selecting atoms: `@all`, `@physical`, `@virtual` (see \ref atomSpecs).
- When using \ref MOLINFO, also the following shortcuts are available for selecting atoms: `@nucleic`, `@protein`, `@water`, `@ions`, `@hydrogens`, `@nonhydrogens`.
- When using \ref MOLINFO, individual atoms can be chosen also from water molecules (e.g. `@OW-100`).
Changes from version 2.4 which are relevant for developers:
- Code has been cleanup up replacing a number of pointers with `std::unique_ptr`. All `delete` statements
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