From d32f118745bb14200baf360bec62ebc040171521 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Wed, 11 Jul 2018 19:26:39 +0200
Subject: [PATCH] changelog
---
CHANGES/v2.5.md | 3 +++
1 file changed, 3 insertions(+)
diff --git a/CHANGES/v2.5.md b/CHANGES/v2.5.md
index cda9155c7..a3fe50bb6 100644
--- a/CHANGES/v2.5.md
+++ b/CHANGES/v2.5.md
@@ -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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