[gmx-users] Generate OPLS Parameters for a modified residue

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Tue Jun 25 23:59:04 CEST 2019

Hello gromacs users,

Any suggestions on how to generate OPLS ff parameters for a modified residue? I found a few servers (listed below):

- TPPmktop: http://erg.biophys.msu.ru/tpp/
- LigParGen: http://zarbi.chem.yale.edu/ligpargen/

Can I get your insights if you have used anyone of these tools?

Many thanks,

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