[gmx-users] Re: Polarizable water model

Alex [comcon1] Nesterenko comcon1 at erg.biophys.msu.ru
Thu Jul 21 03:06:11 CEST 2011

>> Is any polarizable water models are available in ITP format? Or may be I
>> should prepare .itp from some articles? In recent mail archive I've found
>> some mentions about SWFLEX-AI model. Also I've found van der Spoel's
>> article. May be somebody have ready .itp files of some models?

>There should be a file with polarizable water topology in the standard
>topology folder of the gromacs installation.

I thought the same but I couldn't find it! Could you point me? I found
only tip3,4,5p variants, spc variants and f3c. No of them has fluctuating
charge or dipole so no electronic polarization is simulated, isn't it?

Alex [comcon1] Nesterenko,
PhDer of biophysical department,
Biology Faculty. MSU.

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