[gmx-users] on PDB2gmx

[Justin A. Lemkul]

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 
example:

http://lists.gromacs.org/pipermail/gmx-users/2012-April/070130.html

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

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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