Or, and that is a very peculiar option, genion with -conc 0. :)
Alex
On 3/30/2018 4:28 AM, Justin Lemkul wrote:
On Fri, Mar 30, 2018 at 5:38 AM Viveca Lindahl <vivecalind...@gmail.com>
wrote:
Hi users,
Is it possible to extract a gro file from a tpr? Unfortunately 'gmx mdrun
-nsteps 0' does not give a confout.gro :)
Just use editconf.
-Justin
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Viveca
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