v1.8.1

• add note in density table to avoid confusion of solvent and cossolvent

v1.8.1

MolSimToolkit v1.8.1

Diff since v1.8.0

• some docstring formatting

v1.8.0

MolSimToolkit v1.8.0

Diff since v1.7.0

New features:

• Align to average structure in rmsd, with the reference_frame = :average option.
• Show progress meter in rmsd calculation routines. Disable with show_progress = false.

v1.7.0

doc updates

v1.7.0

MolSimToolkit v1.7.0

Diff since v1.6.0

New feature:

• inroduce probability_type option in REMD heatmap.

v1.6.0

MolSimToolkit v1.6.0

Diff since v1.5.0

New features:

• heatmap function for REMD exchange matrix.
• support for stride parameter in remd_replica_path.

v1.5.0

MolSimToolkit v1.5.0

Diff since v1.4.3

• add remd_replica_path function

v1.4.3

MolSimToolkit v1.4.3

Diff since v1.4.2

• Fix bug on REMD data reading - support for different number of replicas. Also test on files of gromacs 5.0.4.

v1.4.2

• collapse docstrings in documentation (use Documenter 1.3)

v1.4.2

MolSimToolkit v1.4.2

Diff since v1.4.1

• add error message if mass vector has different length than indices vector in rmsd_matrix