[gmx-users] adding non-polar hydrogens

Justin A. Lemkul jalemkul at vt.edu
Wed May 13 16:47:31 CEST 2009

Stefano Meliga wrote:
> Hello,
> I would like to add non-polar hydrogens as well as the polar ones.
> Does anybody know if that is possible?
> I haven't found any related option of the function pdb2gmx.

protonate -h


> Thanks,
> Stefano.
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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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