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| {{stub-general}} | | {{stub-general}} |
| '''Replica-exchange molecular dynamics''' (REMD) <ref>[http://dx.doi.org/10.1016/S0009-2614(99)01123-9 Yuji Sugita and Yuko Okamoto "Replica-exchange molecular dynamics method for protein folding", Chemical Physics Letters '''314''' pp. 141-151 (1999)]</ref> is a [[Tempering methods | tempering method]]. | | '''Replica-exchange molecular dynamics''' (REMD)<ref>[http://dx.doi.org/10.1016/S0009-2614(99)01123-9 Yuji Sugita and Yuko Okamoto "Replica-exchange molecular dynamics method for protein folding", Chemical Physics Letters '''314''' pp. 141-151 (1999)]</ref> is a [[Tempering methods | tempering method]]. |
| In this method several replicas of the system are simulated at different [[temperature]]s. Every once in a while copies of the system are exchanged.
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| ==Thermostats==
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| It has recently been pointed pointed out that one should be very careful which [[thermostats | thermostat]] one employs, the wrong choice leading to [[Ergodic hypothesis | non-ergodic]] behaviour <ref>[http://dx.doi.org/10.1063/1.2989802 Ben Cooke and Scott C. Schmidler "Preserving the Boltzmann ensemble in replica-exchange molecular dynamics", Journal of Chemical Physics '''129''' 164112 (2008)]</ref>. One should use a [[canonical ensemble]] thermostat
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| <ref>[http://dx.doi.org/10.1021/ct800557h Edina Rosta, Nicolae-Viorel Buchete and Gerhard Hummer "Thermostat Artifacts in Replica Exchange Molecular Dynamics Simulations", Journal of Chemical Theory and Computation '''5''' pp. 1393-1399 (2009)]</ref>.
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| ==See also==
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| *[[Parallel tempering]]
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| ==References== | | ==References== |
| <references/> | | <references/> |