Related Issues (20)
- Cannot generate ions HOT 2
- Problemst in creating itp file for acetonitrile(CH3CN) HOT 2
- Problem of installing LigParGen Server Locally HOT 3
- cannot submit my mol2 file.
- Unable to generate topology with graphene HOT 2
- Server Timing Out
- command-line only error: AssertionError: PROPOSED CHARGE IS NOT POSSIBLE: SOLUTE MAY BE AN OPEN SHELL
- BOSSdir seems limited to 80 characters or fewer
- Request for LigParGen command line to stop using /tmp as the only (hardcoded) option for temporary files
- Polyaromatics hydrocarbon molecule cannot been generated
- Unable to generate topology for water HOT 1
- Question about van der Waals parameters for hydrogen atoms
- Fully halogenated molecules cannot be generated
- [BUG] Crash when submitting linear molecules
- Error in generating OPLS-AA for deprotonated PFBS ( [F3C-(CF2)3-SO3]- )
- Non-corresponding atom types in the molecule.xyz file with molecule.key file HOT 1
- ANGfinal error using LigPargen executable
- Issues with Glycerol data generated by ligpargen
- ERROR IN LigParGen output: wrong atom partial charges - GLycerol molecule
- Local Version of LigParGen lacks some Improper Dihedral parameters HOT 1
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