Arthur Roberts wrote:
Hi, all,

This is probably an obvious question. I did a simulation with an ff53a6 force field, which lacks protons on aliphatic side chains. I have pdb coordinates for each time. Is there a way to add protons to the aliphatic side chains. Your input is appreciated.


Check out the "protonate" tool.

-Justin


Sincerely,
Art Roberts

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

Justin A. Lemkul
Graduate Research Assistant
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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