thank you for replying Dr.Cojocaru
I will send you the complete details soon.
On 3/29/07, Vlad Cojocaru <Vlad.Cojocaru.eml-r.villa-bosch.de> wrote:
> Dear Nayar,
>
> I am afraid nobody will be able to answer your question because your
> message doesnt contain any details. For instance you could provide the 2
> inputs, samples of the 2 outputs so that people may understand what is
> actually going on.
>
> Reading and answering your last email, my guess is that you made another
> input mistake, but I cannot say anything till you provide us with more
> specific info about your runs ..
>
> cheers
> vlad
>
>
> deepti nayar wrote:
>
> > I hav run energy minimization of a dipeptide in 2 ways
> >
> > In the first attempt, i have run minimization of the complete
> > structure and in the 2nd attempt I have fixed a few atoms and then run
> > minimization. As far as i think, i should get some difference in the
> > energies of the two runs but what i am getting is exactly the same.
> >
> > please guide me.
> >
> > thanks
> > deepti
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> --
> ----------------------------------------------------------------------------
> Dr. Vlad Cojocaru
>
> EML Research gGmbH
> Schloss-Wolfsbrunnenweg 33
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>
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> Fax: ++49-6221-533298
>
> e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de
>
> http://projects.villa-bosch.de/mcm/people/cojocaru/
>
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Received on Sun Apr 01 2007 - 06:07:25 PDT
