[gmx-users] genion doesn't work in 4.6.1?

Justin Lemkul jalemkul at vt.edu
Fri Apr 5 21:12:28 CEST 2013


On Fri, Apr 5, 2013 at 3:09 PM, Warren Gallin <wgallin at ualberta.ca> wrote:

> Don't you have to give tyne name of the positive and negative ions that
> will be added by genion?  Otherwise, how would it know?
>
>
Default names are used (see genion -h), and the default names are correct
for all force fields as of version 4.5, which standardized ion nomenclature
across force fields.

-Justin

-- 

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

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