How to generate/include parameters in gromacs for 1MRQ pdb file using charmm36 or a different ff??

I'm trying to run MD simulations on GROMACS 2019.2 using CHARMM36m forcefield of pdb file 1MRQ, an enzyme complexed with NADP+ and 20alpha-hydroxyprogesterone. I tried to parametrize the entire...

24 April 2020 3,422 0 View