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
--
========================================
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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