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I believe this to be a bug with LigParGen
## Issue Information
Software name & Version : LigParGen server from website
Method: I am a first time user of this server, so tested alanine to check i…
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- [ ] I believe this to be a bug with LigParGen
- [x] This is a feature request
## Issue Information
Software name & Version : http://zarbi.chem.yale.edu/ligpargen/
Method: Not relevant (1.14*CM…
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Hi!
I think there is a bug in LigGenPar 2.3 command line
I have installed it as advised, liked BOSS, etc.. when I do a test with smiles I get such output:
```
❯❯❯ LigParGen -s 'c1ccc(cc1)O' …
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- [ ] I believe this to be a bug with LigParGen
- [x] This is a feature request
I wonder whether it is possible to allow molecules with net charge larger than +/-2 to be parameterised by the …
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As the title,though all my input files are in the same folder and the ligpargen can be used,it still run out with **input file: does not exit**
Here is my command
> ligpargen -i TSFI.pdb -n TFSI -…
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The order of the atoms in the Improper Dihedral definition of OpenMM xml files may be incorrect. AFAIK OpenMM force field xml input expects the central atom at position 1. Attached is a case that caus…
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Hi,
When testing with small molecule this works:
```
$ ligpargen -i ribociclib.poltype.opt.sdf -n ribociclib -p ribociclib -r 6ZZ -c 0 -o 0 -cgen CM1A
LigParGen finished succesfully!
```
but u…
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Dear developer,
I installed ligpargen as suggested in the README.md. And when I ran the test, it seemed ok. But when I typed the command "ligpargen -s 'c1ccc(cc1)O'" in the terminal, a error happe…
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Thanks for your great job on this pretty tool!
Sadly, I am blocked in generating force field files for a molecule using `CM1A-LBCC` charge model.
The command to reproduce error is:
```bash
ligpa…
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Hi,
When submitting and contrasting the two results of parametrization of the same molecule and geometry with server version against command-line one, discrepancies appear in the tandem tinker type…