[gmx-users] problem with generating itp file for my own ligand

[Mark Abraham]

Lam Yan, Sonia wrote:
> Hi everyone!
>  
> I know there are some programs/servers such as PRODRG which can help us 
> to generate the itp files for specific ligand.
>  
> However, the system now I am working on is Gromacs OPLSAA, I wonder if 
> there are other programs besides PRODRG which
>  
> can generate the topology/itp files of my ligand in all-atom system?
>  
> And the ligand I am working with is acetyl-phosphate.

There's some good advice here... 
http://wiki.gromacs.org/index.php/Parameterization

Mark