Re: [AMBER] algorithm for rms

From: Francesco Oteri <francesco.oteri.gmail.com>
Date: Fri, 17 Jun 2011 17:03:11 +0200

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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>>> http://lists.ambermd.org/mailman/listinfo/amber
>>>
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Received on Fri Jun 17 2011 - 08:30:03 PDT
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