[gmx-users] Completed simulation in Gromacs 4.6.5. Can I extend it with Gromacs 5.1.1?
mark.j.abraham at gmail.com
Wed Dec 23 23:08:23 CET 2015
Not really. Depending what you're doing, the two versions might be doing an
equivalent job, but I would still discard a re-equilibration period.
On Thu, 24 Dec 2015 01:04 Jorge Fernández de Cossío Díaz <
j.cossio.diaz at gmail.com> wrote:
> I have completed a 50ns protein simulation in Gromacs 4.6.5. Now I want to
> extend this simulation to 100ns, but I just found out that the cluster I
> used has replaced 4.6.5 with 5.1.1. I'd also like to use the new version,
> since I find the new "gmx " commands (with autocomplete) to be easier to
> So, can I extend a simulation that I completed using gromacs 4.6.5, with
> gromacs 5.1.1?
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