[gmx-developers] simple replica exchange example to validate gmx3.3 installation

Marc Baaden baaden at smplinux.de
Tue Oct 18 09:43:52 CEST 2005


we have just installed Gromacs 3.3 on a supercomputer (IBM Power4) and would
like to validate the installation with respect to replica exchange 
Would somebody have a simple testcase (eg input files mdp etc) running replica
exchange on a small system at hand so that we could check that our installation
is ok ?

Thanks in advance,
  Marc Baaden

 Dr. Marc Baaden  - Institut de Biologie Physico-Chimique, Paris
 mailto:baaden at smplinux.de      -      http://www.baaden.ibpc.fr
 FAX: +33 15841 5026  -  Tel: +33 15841 5176  ou  +33 609 843217

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