Re: restart ABF

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Mon Nov 29 2010 - 11:38:29 CST

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Hi Parisa,

[Note to other readers: the following applies only to the older, now
deprecated implementation of ABF]

It should just be the output file from the previous run, the suffix is
irrelevant. In your case, it is probably the ".dat" file.

Cheers,
Jerome

On 29 November 2010 17:43, Parisa Akhski <Parisa.Akhshi_at_chem.queensu.ca> wrote:
> Hi,
> I need to restart an ABF run. I found the instruction for those using
> "Colvars". I also found the link below posted on mailing list to use abf
> inFiles:
>
> http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/6065.html
>
> However, I don't have ".pmf" as an output file to use abf inFiles
> {../SET2/abf.pmf}. The only output file I have are:
>
> .history
> .dat
> .dist
>
> and
> also(.coor,.restart.coor,.restart.coor.old,.vel,.restart.vel,.restart.vel.old,.sxc,.restart.xsc,.restart.sxc.old
> .dcd,.sxt) from NAMD.
>
> How can I use abf inFiles to restart ABF?
> Many thanks,
> Parisa
>
>
>

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