From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Thu Feb 27 2014 - 06:59:48 CST
the idea is that people who are interested in force distributions are also interested in force trajectories, and will save those. Then, it is fairly easy to extract the distributions from the time trajectories by binning. That's the reason why I didn't implement the force distribution calculation in the current ABF code.
If however people feel strongly about this, feel free to present your arguments, and I could definitely be convinced to implement it.
----- Original Message -----
> Hi Kasra,
> I had a sample problem, it good to see someone did a little digging before
> asking question. probably you find NAMD 2.6 user guid which talked about
> 'distFile command'.
> look at followig link for more info
> fortunately, it works since it just need the abf TCL script which has been
> already put in the newer version too. you can find it in
> $your NAMD folder/lib/abf
> However, it will give you the force distribution with fixed bin, 1
> On Thu, Feb 13, 2014 at 3:56 PM, Kasra Fattah <kasra.fattah_at_gmail.com>wrote:
> > Dear All,
> > I'm trying to get the force distribution at each window for the ABF
> > simulation that I'm doing. As I was digging through the list I found
> > "distFile" command which seems is not available anymore in the recent
> > versions of NAMD. Would you let me know how I can get the force
> > distribution at each cell along the reaction coordinate?
> > Cheers,
> > Kasra.
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