diff --git a/docs/changelog.md b/docs/changelog.md index 35f8555e..0a500c4a 100644 --- a/docs/changelog.md +++ b/docs/changelog.md @@ -6,9 +6,9 @@ title: Changelog # Changelog ## [gxm_MMPBSA v1.4.1 (08/04/2021)](https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA/releases/tag/v1.4.1) ### Additions -- Added a new class `Residue` to handle residues selection in Gromacs format with Amber index -- Verification of water molecules in user defined groups -- Gromacs timer +- New class `Residue` added to handle residues selection in Gromacs format with Amber index +- Verification of the presence of water molecules in receptor and ligand groups +- Gromacs timer added ### Fixes - Gromacs topology conversion @@ -19,8 +19,8 @@ title: Changelog - Improved ΔG Binding plot representation ### Changes -- Now `forcefields` variable unified `protein_forcefield` and `ligand_forcefield` -- `protein_forcefield` and `ligand_forcefield` pass to deprecate state. They will be removed in the next version. +- Now `forcefields` variable unifies `protein_forcefield` and `ligand_forcefield`. These variables `protein_forcefield` + and `ligand_forcefield` are deprecated and will be removed in the next version (v1.5.0). - Improved documentation - Examples - Command-line