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<p>Hi, Hernan.</p>
<p><br></p>
<p>You wrote 16 Jan 2012 г., 19:23:27:</p>
<p><br></p>
<p><span class=rvts6>> Dear gmx-user,</span></p>
<p><span class=rvts6>> I am working in the dinamicas fo aluminophosphates material. I need to</span></p>
<p><span class=rvts6>> calculated de IR spectrum from the trajectory. if is it possible to do </span></p>
<p><span class=rvts6>> this with gromacs?, </span></p>
<p><br></p>
<p>GROMACS is great!</p>
<p>Couple years ago I calculated with gromacs IR spectra for water clusters:</p>
<p>"Far-infrared radiation absorption cross section of clusterized water vapor",</p>
<p>Technical Physics Letters, Volume 36, Number 2, 173-176, </p>
<p>DOI: 10.1134/S1063785010020240</p>
<p><br></p>
<p><span class=rvts6>> if someone can help me with this (paper or reviews) it would be</span></p>
<p><span class=rvts6>> great.</span></p>
<p><br></p>
<p>see refs [5, 7-9] in our paper.</p>
<p><br></p>
<p><span class=rvts6>> Best Wishes</span></p>
<p><span class=rvts6>> Hernan</span></p>
<p><br></p>
<p><span class=rvts7>-- </span></p>
<p><span class=rvts7>Regards,</span></p>
<p><span class=rvts7> Dmitri </span><a class=rvts8 href="mailto:ddubov@ngs.ru">mailto:ddubov@ngs.ru</a></p>
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