From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Wed May 30 2012 - 09:17:48 CDT
And of course a link to the publication of this method as it is already used.
Accelerating Biomolecular Dynamics in the Microsecond Time Scale
http://pubs.acs.org/doi/full/10.1021/ct9000685
A little more serious please.
Why should I compute every timestep if I don't need it.
Norman Geist.
> -----Ursprüngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von Vincent Leroux
> Gesendet: Mittwoch, 30. Mai 2012 15:04
> An: namd-l_at_ks.uiuc.edu
> Betreff: Re: namd-l: NAMD feature request Hydrogenscale
>
> Focusing on the potential "scientific value" of making all hydrogens 4x
> heavier for the sake of getting MD "just run faster with big
> timesteps",
> how about passing the idea to the CHARMM forcefield developers in the
> dedicated mailing list? ;-)
>
>
>
> On 30/05/2012 14:14, Axel Kohlmeyer wrote:
> > On Wed, May 30, 2012 at 7:16 AM, Ajasja Ljubetič
> > <ajasja.ljubetic_at_gmail.com> wrote:
> >>> without commenting on scientific value,
> >>
> >>
> >> Could we hear this comment as well? (If it is not to vulgar, of
> course:)
> >
> > since i have no proper justification for
> > it, i'd rather not. the world is already
> > full of too many prejudices and people
> > with half-knowledge or no knowledge
> > blasting out opinions and speculations.
> >
> > axel.
> >
> >>
> >> Best regards,
> >> Ajasja
> >
> >
> >
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