[gmx-users] Replica exchange questions

[Marc Baaden]

Hi,

we are planning to use replica exchange very soon on a rather big system.
What is the current state in Gromacs ? Eg:

* which Gromacs version is recommended for replica exchange, 3.3 or CVS or some 
  custom version ?
* are there known bugs/shortcomings ?
* can the individual replicas be parallelized ? Eg could one run 20 replicas, each
  using 16 procs or can a replica only run on a single CPU ?
* are there any RE tutorials for gromacs ?

Thanks in advance,
  Marc Baaden

-- 
 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.baaden.ibpc.fr
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