GROMACS version: 2025.1
GROMACS modification: No
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Hi All,
I am interested in performing simulations using Drude FF. I have small organic molecules for which CHARMM36 files are available and would like to convert those to Drude. I know that CHARMM-GUI has Drude Prepper but that does not accept files for small organic molecules. CHARMM can convert these files to Drude formats but converting those to GROMACS files is an issue.
Are there any scripts or tools available that I can use to convert from CHARMM36 to Drude? Any help in this regard will be appreciated.
Thanks,
Raman