[gmx-users] spc_flex reference

[Xavier Periole]

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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