[gmx-users] How to make the missing atom by PRODRG

[X.Periole]

On Fri, 28 Apr 2006 20:34:17 -0700
  "raja" <raja_28 at fastmail.us> wrote:
> Hi GMXIONS,
> A hydrogen atom attached to carboxylate oxygen is 
>missing in output gro
> file for a ligand produced by DUNDEE PRODRG server.

If you mean that you want to portonate (neutralize) a 
corboxyl
group ... you can do this through pdb2gmx using the -glu 
flag
that would give you the choice of protonation state for 
all
gl in your system.

XAvier
> How to add that hydrogen manually , Is there way to do 
>that in any of
> available software ?
> 
> With thanks !
> B.Nataraj
> -- 
>  raja
>  raja_28 at fastmail.us
> 
> --