Open peiyinlee opened 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
Software name & Version : Method:
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
Issue Information
Software name & Version : Method:
Expected Behavior
Actual Behavior