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Sync first frames of gsd and logfile writer

idea

Status: Open.

#87 In cmelab/planckton;

· jennyfothergill opened on Mar 23, 2022

Switch assert to Error

good first issueGood for newcomersGood for newcomers

Status: Open.

#73 In cmelab/planckton;

· jennyfothergill opened on Sep 22, 2021

Plan to move away from gaff-custom forcefield and *_typed.mol2 compounds

Status: Open.

#59 In cmelab/planckton;

· chrisjonesBSU opened on Jul 6, 2021

Generalize workflow to be better able to work with coarse graining

Status: Open.

#48 In cmelab/planckton;

· jennyfothergill opened on May 12, 2021

add a link to mosdef

good first issueGood for newcomersGood for newcomers

Status: Open.

#47 In cmelab/planckton;

· jennyfothergill opened on Apr 26, 2021

debug forcefield issues: unparameterized dihedrals

Status: Open.

#30 In cmelab/planckton;

· jennyfothergill opened on Jan 8, 2021

Add constrainmol to planckton workflow

Status: Open.

#28 In cmelab/planckton;

· jennyfothergill opened on Jan 7, 2021

Add notebook tutorial style example and add additional CI job to test it

Status: Open.

#27 In cmelab/planckton;

· jennyfothergill opened on Dec 3, 2020

Allow for more ways to specify density

good first issueGood for newcomersGood for newcomers

Status: Open.

#22 In cmelab/planckton;

· jennyfothergill opened on Nov 11, 2020

tests - cleanup and parallelize

Status: Open.

#7 In cmelab/planckton;

· jennyfothergill opened on Oct 22, 2020