[gmx-users] Multiple Simulations

Anton Feenstra feenstra at chem.vu.nl
Mon Jan 12 15:53:00 CET 2004


Hi Users!


I've been looking through literature, but was unable to locate papers
that rigorously treat how to combine trajectories from multiple simulations
of the same system. In principle, one has to assign a (statistical)
weight to each of the simulations before taking, e.g., averages over
the combination. Can anyone give me a hint or a few pointers?


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
|_____________|_______________________________________________________|





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