[gmx-users] question about Gromacs and Spectroscopy

Justin A. Lemkul jalemkul at vt.edu
Wed Jun 30 12:34:10 CEST 2010

Baofu Qiao wrote:
> Hi all,
> I want to reproduce some experimental data on Spectroscopy using
> Gromacs. I want to know is it possible? If yes, how to do that? Is there
> any tutorial related to that?
> Any help is appreciate!

Your question is too vague to get much useful advice.  The term "spectroscopy" 
can refer to a large number of techniques.  I am unaware of any tutorial related 
to any spectroscopic technique, however, but you might get some useful advice if 
you ask a more specific question (i.e., what you're actually trying to do).


> regards,
> Baofu Qiao


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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