Thanks buddies. It helps me a lot.
On Wed, Mar 27, 2013 at 10:52 PM, Aron Broom <broomsday.gmail.com> wrote:
> wouldn't you expect less rmsd when fitting compared to no fitting?
>
> the fitting procedure attempts to eliminate translation and rotation of the
> molecule you are fitting.
>
> On Wed, Mar 27, 2013 at 1:17 PM, HIMANSHU JOSHI <himanshuphy87.gmail.com
> >wrote:
>
> > Dear friends,
> >
> > I am using ptraj to calculate rmsd for amber trajectories.
> > I am getting less rmsd with fit compared to
> > nofit. I want to know that what algorithm rms follow
> > to do this fitting of trajectories.
> >
> > Looking forward for your kind suggestions.
> >
> > --
> > *With Regards,
> > HIMANSHU JOSHI
> > Graduate Scholar, Center for Condense Matter Theory
> > Department of Physics IISc.,Bangalore India 560012*
> > ॐ सर्वे भवन्तु सुखिनः सर्वे सन्तु निरामयः।
> > सर्वे भद्रणिपश्यन्तु मा कश्चिद्दुःख भाग भवेत्॥
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Aron Broom M.Sc
> PhD Student
> Department of Chemistry
> University of Waterloo
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
*With Regards,
HIMANSHU JOSHI
Graduate Scholar, Center for Condense Matter Theory
Department of Physics IISc.,Bangalore India 560012*
ॐ सर्वे भवन्तु सुखिनः सर्वे सन्तु निरामयः।
सर्वे भद्रणिपश्यन्तु मा कश्चिद्दुःख भाग भवेत्॥
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Received on Wed Mar 27 2013 - 23:30:03 PDT
