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This repository has been archived by the owner on Feb 15, 2022. It is now read-only.

Issues: leelasd/ligpargen

71 Open 21 Closed
71 Open 21 Closed
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Issues list

Local Version of LigParGen lacks some Improper Dihedral parameters
#92 opened Feb 10, 2022 by wutobias
1 of 2 tasks
1
ERROR IN LigParGen output: wrong atom partial charges - GLycerol molecule
#91 opened Jan 12, 2022 by paolobotto
Issues with Glycerol data generated by ligpargen
#90 opened Jan 10, 2022 by paolobotto
ANGfinal error using LigPargen executable
#89 opened Dec 20, 2021 by arashelahi
1 task done
Error in generating OPLS-AA for deprotonated PFBS ( [F3C-(CF2)3-SO3]- )
#87 opened Dec 15, 2021 by Smile098
1 task
[BUG] Crash when submitting linear molecules
#86 opened Nov 29, 2021 by chem-william
1 of 2 tasks
Fully halogenated molecules cannot be generated
#85 opened Oct 19, 2021 by rcruzsilva
1 task done
Question about van der Waals parameters for hydrogen atoms
#84 opened Sep 24, 2021 by dimozino
Unable to generate topology for water
#83 opened Sep 1, 2021 by ChiselledPeasant
1 task
1
Polyaromatics hydrocarbon molecule cannot been generated
#82 opened Jul 22, 2021 by idmoncay
Request for LigParGen command line to stop using /tmp as the only (hardcoded) option for temporary files
#81 opened Jul 14, 2021 by therealchrisneale
BOSSdir seems limited to 80 characters or fewer
#80 opened Jul 14, 2021 by therealchrisneale
command-line only error: AssertionError: PROPOSED CHARGE IS NOT POSSIBLE: SOLUTE MAY BE AN OPEN SHELL
#79 opened Jul 14, 2021 by therealchrisneale
Server Timing Out
#78 opened Jun 25, 2021 by wilfonba
1 task
Unable to generate topology with graphene
#77 opened Jun 10, 2021 by layzhaf
2 tasks
2
cannot submit my mol2 file.
#76 opened May 4, 2021 by EwieM8
1 of 2 tasks
Problem of installing LigParGen Server Locally
#75 opened Apr 12, 2021 by sbkk000
2 tasks done
3
Problemst in creating itp file for acetonitrile(CH3CN)
#74 opened Apr 5, 2021 by NaviChemist
2
Cannot generate ions
#73 opened Apr 2, 2021 by marcodigennaro
2 tasks done
2
itp file generation with BOSS executable, using pdb files
#72 opened Apr 1, 2021 by arashelahi
Issue of improper dihedral angles: atom indices are shuffled
#71 opened Mar 10, 2021 by kobaya-sh
1 of 2 tasks
Unexpected torsions assigned for cyano group
#70 opened Mar 9, 2021 by djcole56
Issues related to input file format and No Output
#69 opened Dec 21, 2020 by dalipntu
The index of atoms of my molecules are rearranged
#68 opened Nov 18, 2020 by wwww0wwww
1 task
I can' t get the opls-aa parameter for this smil character
#67 opened Nov 4, 2020 by ExuanW
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