<div dir="ltr">Dears,<div><br></div><div>I took a look at wikis and keep following this list but I still have doubts that I would appreciate any advice for.</div><div><br></div><div>What would be the recommended approach for temperature coupling for a system composed of protein + ligand + water + ions?</div>
<div>Which termostat: Berendsen or Nose-Hoover?</div><div>NPT by the way? Which algorithm: Berendsen or Parrinello-Rahman?</div><div><br></div><div>I am interested in protein/ligand interactions.<br clear="all"><br></div>
<div>Many thanks in advance.</div><div>Cheers,</div><div>Alan</div><div>-- <br>Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate<br>Department of Biochemistry, University of Cambridge.<br>80 Tennis Court Road, Cambridge CB2 1GA, UK.<br>
>><a href="http://www.bio.cam.ac.uk/~awd28">http://www.bio.cam.ac.uk/~awd28</a><<<br>
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