[gmx-users] on PDB2gmx

Justin A. Lemkul jalemkul at vt.edu
Sat Apr 7 03:54:43 CEST 2012

Acoot Brett wrote:
> Dear All,
> Can I remove all the H from the PDB file and then input it to the 
> pdb2gmx so that pdb2gmx can produce all the correct protonation state of 
> the protein residues including HIS?

This question has already been answered several times in different forms, for 


Repeating questions when they've already been answered makes all involved less 
likely to answer you in the future, especially if it appears previous answers 
are being disregarded.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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