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