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feat: extending config validation

Status: Open.

#588 In graeter-group/kimmdy;

· ehhartmann opened on Sep 11, 2026

feat: deal with plugin failure

Status: Open.

#587 In graeter-group/kimmdy;

· ehhartmann opened on Sep 10, 2026

schema: slow growth

Status: Open.

#550 In graeter-group/kimmdy;

· KRiedmiller opened on Jul 3, 2025

feat: reaction step to change residuetypes and adjust partial charges etc.

Status: Open.

#548 In graeter-group/kimmdy;

· jmbuhr opened on May 6, 2025

docs: document use of CustomTopMod and sequencing in recipes

Status: Open.

#547 In graeter-group/kimmdy;

· jmbuhr opened on May 5, 2025

investigate need for filelock for cache files next to trajectories

Status: Open.

#546 In graeter-group/kimmdy;

· jmbuhr opened on Apr 11, 2025

docs: document hpc + plumed tips

Status: Open.

#544 In graeter-group/kimmdy;

· jmbuhr opened on Apr 11, 2025

feat: analysis tool to generate vmd file with dynamic bonds

Status: Open.

#543 In graeter-group/kimmdy;

· jmbuhr opened on Mar 20, 2025

feat: take temperature from mdp and pass to plugins

Status: Open.

#542 In graeter-group/kimmdy;

· jmbuhr opened on Mar 20, 2025

Expand bondorder dict

Status: Open.

#541 In graeter-group/kimmdy;

· ehhartmann opened on Mar 19, 2025

feat: restart from (during) the slow-growth md

enhancementNew feature or requestNew feature or request

Status: Open.

#533 In graeter-group/kimmdy;

· jmbuhr opened on Mar 11, 2025

restart doesnt work with explicit radicals

bugSomething isn't workingSomething isn't working

wontfixThis will not be worked onThis will not be worked on

Status: Open.

#510 In graeter-group/kimmdy;

· ehhartmann opened on Feb 5, 2025