[gmx-users] genion doesn't work in 4.6.1?
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540)
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