Dear Manu Vajpai,
On 07 Jul 2014, at 07:39, Manu Vajpai wrote:
> Hi all,
>
> I am interested in using accelerated MD or another method which allows me
> to sample rare events without specifying collective variables beforehand.
> The only solution that I have found for GROMACS so far is conformational
> flooding, but I can't find a reference for its implementation in any
> GROMACS version since 3.3. Is there any alternative method/implementation
> which will allow me to reliably perform such simulations in GROMACS?
You can use flooding in Gromacs 3.x, 4.x and 5 - it’s still there :)
Carsten
>
> Regards,
> Manu Vajpai,
> PhD Candidate,
> IIT Kanpur
> India
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
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