On Fri, 28 Apr 2006 20:34:17 -0700
"raja" <[EMAIL PROTECTED]> 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
[EMAIL PROTECTED]
--
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