Re: ABF force distribution

From: MEHRAN MB (mb.mehran1_at_gmail.com)
Date: Tue Feb 18 2014 - 10:50:59 CST

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
http://www.ks.uiuc.edu/Research/namd/2.6/ug/node35.html

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
kcal/molA.

-mehran

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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