AMBER Archive (2003)

Subject: Re: AMBER: Implicit precision in sander vs architecture

From: David A. Case (case_at_scripps.edu)
Date: Mon Oct 20 2003 - 19:13:15 CDT

On Mon, Oct 20, 2003, Teletcha Stphane wrote:
>
> Again, i remember you my point : i have the 'impression' that long
> dynamics run are more 'stable' (less conformational space is explored)
> on 64-bits machines than on 32-bits machines. One could say on the
> opposite 32-bits machines are exploring more conformational space ...
>

I will emphasize that I know of no reason why the above generalization should
be true. If it is in fact the case, something very weird is going on.
(I am assuming your both your 32-bit and 64-bit executables pass the test
cases.)

..dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu