> From: raf...@us.es
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] Shell dynamics with vdW terms.
> Date: Wed, 10 Jun 2009 08:42:26 +0200
>
> On Tuesday 09 June 2009 18:27:16 Berk Hess wrote:
> > > From: raf...@us.es
> > > To: gmx-users@gromacs.org
On Tuesday 09 June 2009 18:27:16 Berk Hess wrote:
> > From: raf...@us.es
> > To: gmx-users@gromacs.org
> > Subject: Re: [gmx-users] Shell dynamics with vdW terms.
> > Date: Tue, 9 Jun 2009 16:29:39 +0200
> >
> > On Tuesday 09 June 2009 10:02:47 Berk Hess wrote
> From: raf...@us.es
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] Shell dynamics with vdW terms.
> Date: Tue, 9 Jun 2009 16:29:39 +0200
>
> On Tuesday 09 June 2009 10:02:47 Berk Hess wrote:
> > Hi,
> >
> > The equation you refer to is only a
On Tuesday 09 June 2009 10:02:47 Berk Hess wrote:
> Hi,
>
> The equation you refer to is only an initial guess for the optimization.
> The positions of the shells are optimized using the forces from
> the full potential function.
>
> Berk
>
> > From: raf...@us.es
> > To: gmx-users@gromacs.org
> > D
Hi,
The equation you refer to is only an initial guess for the optimization.
The positions of the shells are optimized using the forces from
the full potential function.
Berk
> From: raf...@us.es
> To: gmx-users@gromacs.org
> Date: Tue, 9 Jun 2009 09:51:13 +0200
> Subject: [gmx-users] Shell dyn
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