Re: restarting ABF simulation

From: Jerome Henin (jhenin_at_cmm.chem.upenn.edu)
Date: Mon Apr 14 2008 - 06:43:40 CDT

Luca,
Just restart the NAMD simulation as you would normally do, providing
the same ABF parameters as in the first run, with the "abf inFiles"
parameter pointing to the previous ABF data file containing the free
energy, its gradient and the sampling histogram.
Jerome

On Mon, Apr 14, 2008 at 5:14 AM, Luca Bellucci <bellucci14_at_unisi.it> wrote:
> Dear all,
> My simulation is prematurely finished (6ns of 10ns),
> How restart ABF simulation?
>
> any suggestions are well accepted
> Luca
>
>

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