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Ah, commercial time again.<br>Have a look at:<br>B. Hess and N. van der Vegt <br>
<b> Hydration Thermodynamic Properties of Amino Acid Analogues: A
Systematic Comparison of Biomolecular Force Fields and Water Models </b> <br>
<a href="http://dx.doi.org/10.1021/jp0641029" target="_blank"> J. Phys. Chem. B 110, 17616 (2006)</a><br>http://dx.doi.org/10.1021/jp0641029<br><br>Berk<br><br><hr id="stopSpelling">From: alanwilter@gmail.com<br>Date: Wed, 31 Mar 2010 13:35:41 +0100<br>To: gmx-users@gromacs.org<br>Subject: [gmx-users] about water models<br><br>Hello there,<div><br></div><div>I was rereading </div><div><br></div><div><p style="font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10px; line-height: normal; font-size-adjust: none; font-stretch: normal; -x-system-font: none;">[1] van der Spoel, D., van Maaren, P., and Berendsen, H. A systematic study of water models for molecular simulation: Derivation of water models optimized for use with a reaction field. Journal of Chemical Physics 108, 24 (June 1998), 10220–10230.</p>
<br>and was wondering if there's something newer. I mean, I am looking for water models comparisons, maybe using different force fields (my interest is amber ff, but if oplsaa would nice).</div><div><br></div><div>In the end I would like to hear from users here if SPC/E is as it seems the ultimate water model for simulations or proteins and DNA without lipids. And if using membranes, what would be the water model recommended.</div>
<div><br></div><div>Suggestion of references for reading are more than welcome.</div><div><br></div><div>Thanks,</div><div><br></div><div>Alan</div><div><br></div><div>-- <br>Alan Wilter Sousa da Silva, D.Sc.<br>PDBe group, PiMS project <a href="http://www.pims-lims.org/">http://www.pims-lims.org/</a><br>
EMBL - EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK<br>+44 (0)1223 492 583 (office)<br>
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