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Issue Generating Topology Files for Saccharinate Anion #57

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peiyinlee opened this issue Jun 29, 2020 · 0 comments
Open
1 of 2 tasks

Issue Generating Topology Files for Saccharinate Anion #57

peiyinlee opened this issue Jun 29, 2020 · 0 comments

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@peiyinlee
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peiyinlee commented Jun 29, 2020

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

  • I believe this to be a bug with LigParGen
  • This is a feature request

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