[gmx-users] OPLS-AA parameters for Phospho-threonine and serine

I've searched the literature and internet and can't seem to find anything. I need to rerun some simulations I've run previously with OPLS-AA (and eventually gromos 54A7 when I'm done with OPLS) and need to include phosphorylated residues. I'm parameterized residues in Amber and Charmm, so I'm

[gmx-users] question about OPLS-AA force field -required bond constraints

Hi, I'm new to both Gromacs and OPLS. I have always used CHARMM or AMBER before so am a bit confused about some idiosyncrasies. When I go to a production run on my system (a protein in a truncated octahedron box of Tip4 water) I have removed all constraints. When I run grompp, I get an error