leelasd / ligpargen

A repository for tutorials and FAQ's about LigParGen
http://traken.chem.yale.edu/ligpargen/
21 stars 17 forks source link

Error when generating topology for Chloride anion #66

Open Usmanovsky opened 4 years ago

Usmanovsky commented 4 years ago

Issue Information

Software name & Version : Method:

Expected Behavior

Screenshot 2020-11-03 190703 I have tried SMILES code as well as pdb format but I keep getting the same error. I selected the "neutral or charged molecule" option and a charge of -1. What am I doing wrong?

Actual Behavior