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