Re: [AMBER] algorithm for rms

From: Ada Sedova <aasedova.unca.edu>
Date: Fri, 17 Jun 2011 11:08:22 -0400

Great. That's what I was wondering. Thanks.


On Fri, Jun 17, 2011 at 11:03 AM, Francesco Oteri <francesco.oteri.gmail.com
> wrote:

> Hi Ada,
> I guess you refer to fitting algoritm. If this is the case, the algoritm
> is the Kabsh's algorithm ( http://en.wikipedia.org/wiki/Kabsch_algorithm )
>
> Il 17/06/2011 16:41, Ada Sedova ha scritto:
> > ptraj
> >
> > On Fri, Jun 17, 2011 at 10:38 AM, Carlos Simmerling<
> > carlos.simmerling.gmail.com> wrote:
> >
> >> I think you'll need to tell us which program you are asking about...
> >> ptraj? sander? other?
> >>
> >>
> >> On Fri, Jun 17, 2011 at 10:36 AM, Ada Sedova<aasedova.unca.edu> wrote:
> >>> Hi,
> >>> I was wondering where I could find the algorithm used for the rms
> action.
> >> I
> >>> also would like to know if the code for this action can be accessed and
> >>> changed for a specific purpose.
> >>> Thanks,
> >>> Ada
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Received on Fri Jun 17 2011 - 08:30:04 PDT
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