Re: restarting ABF simulation

From: Luca Bellucci (bellucci14_at_unisi.it)
Date: Mon Apr 14 2008 - 08:04:01 CDT

Hi Jerome,
I have just read the manual....
then to combine multiple abf runs I should to use
abf inFiles md01-file.dat md02-file.dat md03-file.dat
I hope to have clarified the use of "abf inFiles" command for other user.
Anyway thanks for replay.
Luca

> 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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