Molecular Dyamics – 3β-acetoxy-11,13-dihydroxyolean-12-one
(AEP.ITP)
This itp file is for Gromacs molecular simulation package.It includes bond length,bond angles and dihedral angles of the molecular inserted in.
(AEP- Polar/Aromatic Hydrogen .pdb)
This is a Polar/Aromatic Hydrogen PDB File.For the topology verification purpose this PDB file was subjected to molecular dynamics simulation in aqueous medium for 1 ns time period.And simulation regarding to the above topology file.