leelasd / ligpargen

A repository for tutorials and FAQ's about LigParGen
http://traken.chem.yale.edu/ligpargen/
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Issue Generating Topology Files for Saccharinate Anion #57

Open peiyinlee opened 4 years ago

peiyinlee commented 4 years ago

Hi,

There is an issue generating the topology files for saccharinate anion. I have tried the SMILE code: C1=CC=C2C(=C1)C(=O)NS2(=O)=O and the mol file but still couldn't get the input files for Gromacs. Please advise. Thank you in advance!

Regards, Peiyin

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