[gmx-users] modified peptide parametrization

[Nawel Mele]

Dear Gromacs users,

I would like to simulate a protein with a peptidic ligand. However the
ligand has modified amino acids such as a phosphothreonine, a naphthyl
alanine and a piperidine carboxylic acid. I am not familiar with modified
peptide so  can anyone guide me toward some webserver such as CGenFF or
antechamber in the case of small molecule but for modified peptides? Or
guide me on the path to follow for such parametrization.


Many thanks,

Nawel

-- 

Dr Nawel Mele,
T: +33 (0) 634443794 (Fr)

+44 (0) 7704331840 (UK)