[gmx-users] ligand topology building.

[Yogesh Sharma]

hello users

I am using ATB server for ligand topology development.  there is a section
named FORMAt having options GROMACS, GROMAC11, GROMAC96 and LAMPP  what
does it mean? and in  files section there is choice  for Topology Files and
structure files as following

GROMACS G54A7FF All-Atom (ITP file)

GROMACS G54A7FF United-Atom (ITP file)

Structure Files

All-Atom PDB (optimised geometry)

United-Atom PDB (optimised geometry)

United-Atom PDB (original geometry)

All-Atom PDB (original geometry)

 what are the best option to proceed with, avoiding artifacts?

Thank you for your time.
 *  with  regards*
*Yogesh Sharma*