[gmx-users] Help on MD performance, GPU has less load than CPU.
stephane.teletchea at univ-nantes.fr
Thu Jul 13 19:17:46 CEST 2017
Le 12/07/2017 à 18:15, Mark Abraham a écrit :
> Sure. But who has data that shows that e.g. a free-energy calculation with
> the defaults produces lower quality observables than you get with the
As defaults are defaults ... who knows :-) To get number in front of
these assumptions is hard, and probably nobody wants to do this on a
large scale ... But I'm too close to holidays to argue on this point by now!
Assistant Professor in BioInformatics, UFIP, UMR 6286 CNRS, Team Protein
Design In Silico
UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322
Nantes cedex 03, France
Tél : +33 251 125 636 / Fax : +33 251 125 632
http://www.ufip.univ-nantes.fr/ - http://www.steletch.org
More information about the gromacs.org_gmx-users