[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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)


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