Published March 9, 2021 | Version 1.0
Dataset Open

lundborgmagnus/awh_fep_input_files: v1.0

Authors/Creators

  • 1. ERCO Pharma AB
  • 2. KTH

Description

This is the main release of the input parameters and data to the article describing using AWH for alchemical free energy calculations.

Files

lundborgmagnus/awh_fep_input_files-1.0.zip

Files (2.7 MB)

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md5:015a019262f54cb72fb193a09c40a15a
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Additional details

Related works

Is supplement to
https://github.com/lundborgmagnus/awh_fep_input_files/tree/1.0 (URL)