> Great, I've downloaded the mmtsb toolkit and am bumbling around with
> that and the test in the Amber8 tree. My main question at the moment is
> will this work on a general shared (&heavily loaded) cluster running
> generic PBS as a job supervisor? Or does one need a private cluster?
Ah, there are two replica exchanges effectively; the MMTSB one and one
that is basically more integrated into the MPI (like multisander). I
think MMTSB is in there now (and likely not overly documented); Carlos's
is coming...
dac may have more information on the MMTSB, but basically this is a way to
link independent AMBER jobs that was developed by Micheal Feig in
collaboration with Charlie and Dave.
--tom
Received on Wed Apr 05 2006 - 23:50:06 PDT
