PolyParGen

PolyParGen provides OPLS-AA force field parameters for polymers or large molecules.
PolyParGen is made based on LigParGen[1] and BOSS[2], and supports input files: PDB, MOL, MOL2 and CML.

If you want to make the OPLS-AA force field parameters for organic molecules and ligands which have within 200 atoms, you should use LigParGen service.

Step1: Register User here.

Step2: Upload molecular file (Structures MUST include all hydrogens and 3D coordinates).

Step3: Select version and parameter.


 Maximum number of the split atom(1~150):
  ※About split atom, see our paper.

Step4: Input e-mail address.

When PolyParGen finished to make OPLS-AA force field parameter file, you are informed by PolyParGen server.

e-mail address: