[gmx-users] Converting pdb to tpr
X.Periole at rug.nl
Mon Jul 24 12:24:16 CEST 2006
> 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
look at ligplot .... that would be good to do this !
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