> Date: Wed, 17 Jun 2009 15:17:53 +0200
> From: er...@xray.bmc.uu.se
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] programmes to have in double precision besides
> mdrun_d
>
> Jussi Lehtola skrev:
> > On Wed, 2009-06-17 at 13:45 +0200, Berk
Jussi Lehtola skrev:
On Wed, 2009-06-17 at 13:45 +0200, Berk Hess wrote:
Hi,
Nothing needs to be double precision.
Why do you want mdrun in double precision?
The only common reason for this is normal mode analysis,
in which case you need all the tools involved in double precision.
For norma
On Wed, 2009-06-17 at 13:45 +0200, Berk Hess wrote:
> Hi,
>
> Nothing needs to be double precision.
>
> Why do you want mdrun in double precision?
> The only common reason for this is normal mode analysis,
> in which case you need all the tools involved in double precision.
> For normal MD simula
jalem...@vt.edu
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] programmes to have in double precision besides
> mdrun_d
>
>
>
> Alan wrote:
> > Hi there,
> >
> > I usually create only mdrun_d (double precision), although I am not a
> > hard user
Alan wrote:
Hi there,
I usually create only mdrun_d (double precision), although I am not a
hard user, however, doing some usage lately, I caught asking me if
'grompp' should be double too, and then what else.
So, is there any reason for others programme to go double besides
mdrun? If so, whi
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