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Get automated testing working again

Status: Open.

#87 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Nov 13, 2018

Allow handling of ions so users can neutralize systems

Status: Open.

#82 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Dec 9, 2017

Support for additional molecule formats

Status: Open.

#80 In MobleyLab/SolvationToolkit;

· zakimolvi opened on Aug 24, 2017

Building boxes containing water results in PDB files missing CONECT entries

Status: Open.

#78 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Mar 23, 2017

Get nightly builds going

Status: Open.

#77 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Nov 29, 2016

Asking for the same components/molecules again results in same system

Status: Open.

#74 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Jun 23, 2016

Re-enable skipping of tests requiring OpenEye when OpenEye is not installed

Status: Open.

#72 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Jun 11, 2016

Recognize that tleap reorders water residues BEFORE converting to GROMACS

Status: Open.

#67 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Jun 10, 2016

Check repeated builds and fix or disable

Status: Open.

#66 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Jun 10, 2016

Resolve potential packmol bug or at least communicate to their developers

Status: Open.

#65 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Jun 10, 2016

Add tests that utilize water

Status: Open.

#57 In MobleyLab/SolvationToolkit;

· davidlmobley opened on May 3, 2016

Add test verifying that generated .sdf files have correct data

Status: Open.

#45 In MobleyLab/SolvationToolkit;

· davidlmobley opened on Apr 19, 2016