[gmx-users] How to change the protonation state of an aminoacid in a peptide

[Camilo Andrés Jimenez Cruz]

Hi.

I have the gro file for a peptide in vacuum, in the peptide, there is
only one ASP, and I want to change it to ASPH.
If I run pdb2gmx -asp and select the protonated state, the only change
is in the name of the residue (it doesn't add the needed hydrogen).
Is there any automatic way changing the protonated state for this residue?

Thanks in advance
-- 
Camilo Andrés Jiménez Cruz