[gmx-users] Converting pdb to tpr

[X.Periole]

> That's what I thought.
> 
> I wanted to use g_hbond on frames of a trajectory that I 
>have docked a ligand into to extract the contacts made. 
>However, my initial tpr file doesn't have the ligand in 
>as it was never there in the initial simulation. 
> 
> I'll just have to think of another way to look at the 
>h-bonds.
>

look at ligplot .... that would be good to do this !

XAvier