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HICOLM 2.2.1

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@flavianowilliams flavianowilliams released this 08 Nov 14:25
· 381 commits to master since this release
v2.2.1
87ff379

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.
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