HICOLM 2.3.1

The new HICOLM release is available now. This release reports new appliances related to the previous release.

Bugfix

• Improvements in the 1-4 scale factor.
• Improvements in printing the results in the HICOLM.out file.
• Correction in the amber module in reading amber parameters.
• Correction of bugs in the ftir routine.
• Improvements in the report script.
• The HICOLM.df and HICOLM.md files were replaced by thermodynamics.csv, atoms.csv and lattice.csv.
• Fix bugs in the writing of the XSF backup file.
• Fix bugs in the installing script.

HICOLM 2.2.1

The new HICOLM release is available now. This release reports bugfix and new appliances related to the previous release.

See README for more details.

Implements

• Graphical support by R scripts.
• Development of a report file related to the simulation.
• Changes in the amber parameter data frame.
• Inclusion of 1-4 VdW and coulomb factors of each molecule in HICOLM.sys.
• Improvements in the script install.

Bugfix

• Fix in amber module related to the reading of the AMBER99 parameters.
• Fix in input module related to the reading of input variables.
• Fix in the input files of the examples directory.

HICOLM 2.1.0

The new HICOLM release is available now. This release reports bugfix related to the previous release.

See README for more details.

HICOLM 2.0.1 (beta version)

The new HICOLM release is available now. This release reports bugfix related to the previous release.

See README for more details.

Below is a list of bugs that have been fixed.

• Input parameters related to AMBER in @FORCE section.
• Printing related parameters to the force field in HICOLM.out.

HICOLM 2.0.0 (beta version)

The new HICOLM release is available now. See README for more details. Please, notice the to see the new permissions, limitations and conditions.

Changes

• Bug fix.
• Implementation of the AMBER protocol to describe the force field of proteins, organic molecules and nucleic acids.
• Force optimization of the entire system by steepest descent algorithm.
• The license grant was replaced from GLP v.3 to MIT license.

HICOLM 1.1.0

• The new HICOLM release is available now. See README for more details.
• Please use the Github Issues feature to file bugs, feedback, etc ... at
  https://github.com/flavianowilliams/HICOLM/issues

HICOLM 1.0.0

The first HICOLM version is available now. See README for more details.