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<p>Hi, Alex.</p>
<p><br></p>
<p>You wrote 21 July 2011, 8:06:11:</p>
<p><br></p>
<p><span class=rvts6>>>> Is any polarizable water models are available in ITP format? Or may be I</span></p>
<p><span class=rvts6>>>> should prepare .itp from some articles? In recent mail archive I've found</span></p>
<p><span class=rvts6>>>> some mentions about SWFLEX-AI model. Also I've found van der Spoel's</span></p>
<p><span class=rvts6>>>> article. May be somebody have ready .itp files of some models?</span></p>
<p><br></p>
<p><br></p>
<p><span class=rvts7>>>There should be a file with polarizable water topology in the standard</span></p>
<p><span class=rvts7>>>topology folder of the gromacs installation.</span></p>
<p><br></p>
<p><span class=rvts6>> I thought the same but I couldn't find it! Could you point me? I found</span></p>
<p><span class=rvts6>> only tip3,4,5p variants, spc variants and f3c. No of them has fluctuating</span></p>
<p><span class=rvts6>> charge or dipole so no electronic polarization is simulated, isn't it?</span></p>
<p><br></p>
<p><span class=rvts6>> -- </span></p>
<p><span class=rvts6>> Alex [comcon1] Nesterenko,</span></p>
<p><span class=rvts6>> PhDer of biophysical department,</span></p>
<p><span class=rvts6>> Biology Faculty. MSU.</span></p>
<p><br></p>
<p>I deals with polarizable water models. Some years ago based on sw.itp I did more ITP files for several "charge-on-spring" potentials. You will find them attached.</p>
<p><br></p>
<p>NOTE: I'm not experienced GROMACS'er, so you SHOULD CHECK these files carefully!</p>
<p><br></p>
<p><span class=rvts8>-- </span></p>
<p><span class=rvts8>Regards,</span></p>
<p><span class=rvts8> Dmitri </span><a class=rvts9 href="mailto:ddubov@ngs.ru">mailto:ddubov@ngs.ru</a></p>
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