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Local Version of LigParGen lacks some Improper Dihedral parameters

Status: Open.

#92 In leelasd/ligpargen;

· wutobias opened on Feb 10, 2022

ERROR IN LigParGen output: wrong atom partial charges - GLycerol molecule

Status: Open.

#91 In leelasd/ligpargen;

· paolobotto opened on Jan 12, 2022

Issues with Glycerol data generated by ligpargen

Status: Open.

#90 In leelasd/ligpargen;

· paolobotto opened on Jan 10, 2022

ANGfinal error using LigPargen executable

Status: Open.

#89 In leelasd/ligpargen;

· arashelahi opened on Dec 20, 2021

Error in generating OPLS-AA for deprotonated PFBS ( [F3C-(CF2)3-SO3]- )

Status: Open.

#87 In leelasd/ligpargen;

· Smile098 opened on Dec 15, 2021

[BUG] Crash when submitting linear molecules

Status: Open.

#86 In leelasd/ligpargen;

· chem-william opened on Nov 29, 2021

Fully halogenated molecules cannot be generated

Status: Open.

#85 In leelasd/ligpargen;

· rcruzsilva opened on Oct 19, 2021

Question about van der Waals parameters for hydrogen atoms

Status: Open.

#84 In leelasd/ligpargen;

· dimozino opened on Sep 24, 2021

Unable to generate topology for water

Status: Open.

#83 In leelasd/ligpargen;

· ChiselledPeasant opened on Sep 1, 2021

Polyaromatics hydrocarbon molecule cannot been generated

Status: Open.

#82 In leelasd/ligpargen;

· idmoncay opened on Jul 22, 2021

Request for LigParGen command line to stop using /tmp as the only (hardcoded) option for temporary files

Status: Open.

#81 In leelasd/ligpargen;

· therealchrisneale opened on Jul 14, 2021

BOSSdir seems limited to 80 characters or fewer

Status: Open.

#80 In leelasd/ligpargen;

· therealchrisneale opened on Jul 14, 2021