[gmx-users] spc_flex reference

[Berk Hess]

Hi,

We were talking about flexible spc(e).

I would consider rigid spce the best simple water model
for biomolecular simulations.

Berk

> From: X.Periole at rug.nl
> Subject: Re: [gmx-users] spc_flex reference
> To: gmx-users at gromacs.org
> Date: Wed, 10 Dec 2008 22:33:37 +0100
> 
> On Wed, 10 Dec 2008 17:46:07 +0100
>   Berk Hess <gmx3 at hotmail.com> wrote:
> > 
> > Hi,
> > 
> > There is no reference, since this is not a proper parametrized model.
> > Do NOT use this model for simulations.
> >Flexible spc and spce are only intended for energy minimization purposes.
> Are you sure about SPCE ? It seems you showed in one of your papers
> that it was actually doing pretty good!
> 
> XAvier.
> > 
> > Berk
> > 
> >> From: sanni at theochem.uni-frankfurt.de
> >> To: gmx-users at gromacs.org
> >> Date: Wed, 10 Dec 2008 16:16:45 +0100
> >> Subject: [gmx-users] spc_flex reference
> >> 
> >> Hello everybody,
> >> 
> >> does somebody know a reference concerning the "flexible SPC " modell which 
> >>is 
> >> used by GROMACS ? 
> >> 
> >> Thank you in advance
> >> Sang Min 
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> -----------------------------------------------------
> XAvier Periole - PhD
> 
> - Molecular Dynamics Group -
> Computation and NMR
> University of Groningen
> The Netherlands
> -----------------------------------------------------
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