Molecular Dyamics – itp & pdb files of the Acetate of Quinovic acid
(ACL.ITP)
This itp file is for Gromacs molecular simulation package.It includes bond length,bond angles and dihedral angles of the molecular inserted in.
(ACL- 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.