Re: [AMBER] rdf averaging problem

From: newamber list <newamberlist.gmail.com>
Date: Tue, 15 Apr 2014 04:35:22 +0100

Hi Daniel

Thanks for considering this. I have some tedious long analysis to do with
intrdf. It would be much useful if you can let us know when this bugfix is
expected to be available. I could not figure out from Action_Radial.cpp
file in src directory.

Thanks again
JIom


On Mon, Apr 14, 2014 at 8:12 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> Hi,
>
> This does appear to be a bug when the # of atoms in mask 2 > 1.
> Dividing by # atoms in mask 2 should indeed fix it. Thanks for the
> report!
>
> -Dan
>
> On Mon, Apr 14, 2014 at 10:58 AM, newamber list <newamberlist.gmail.com>
> wrote:
> > Hi,
> >
> > I am just wondering if this is correct way to fix this issue or not?
> > (please see below)
> >
> > thanks
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Apr 14 2014 - 21:00:03 PDT
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