Charmm36 parameter preparation for a small molecule

User discussions
1

Dear Gmx users,
I want to simulate folding simulation of peptide in water-HFIP solution using gromacs.
I would like to prepare charmm36 parameters for hexafluropropanol (HFIP) instead of using CgenFF for the parameters.
Can I convert the parameter from Gromos96 force field to Charmm36?

Best regards,

Mijiddorj

2

You can’t convert one force field to another.

3

no, Gromos96 force field is united atom and charmm36 is all atom.