Hi,
Yes, Jim, the mmtsb toolkit is used at scripps principally
on public heavily loaded linux clusters served by PBS.
Dave and I have discussed finishing the test.
The mmtsb documentation in sander.me only applies to the
Amber pieces; Mike Crowley et al. have a mmtsb tutorial and
the mmtsb web site has documentation - some of which might
appear in our manual.
Suggestions welcome on all of above.
Scott
On Fri, 5 Dec 2003, Thomas E. Cheatham, III wrote:
>
> > 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
