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Incorrect indexing of hydrogen bond ln(P_HB) parameters

Status: Open.

#35 In npschafer/openawsem;

· ftclark3 opened on May 28, 2025

Disagreement between hydrogen bond function in openawsem and lammps awsem-md

Status: Open.

#34 In npschafer/openawsem;

· ftclark3 opened on May 28, 2025

Propose Using 10 instead of 9 for Segment Length in Fragment Memory

Status: Open.

#31 In npschafer/openawsem;

· RebekahWang781 opened on May 22, 2024

Use Doxygen (or something like it) to integrate code and detailed documentation.

Status: Open.

#8 In npschafer/openawsem;

· npschafer opened on Aug 22, 2017

Implement automated tests on Github repository.

Status: Open.

#7 In npschafer/openawsem;

· npschafer opened on Aug 22, 2017

Streamline the integration of contact information from DCA-like calculations by coming up with a workflow based on local databases and locally installed software.

Status: Open.

#6 In npschafer/openawsem;

· npschafer opened on Aug 22, 2017

Streamline the fragment library generation process by using a local copy of the PDB and reading information directly from there (skip the .gro files).

Status: Open.

#5 In npschafer/openawsem;

· npschafer opened on Aug 22, 2017