[gmx-users] reference for urea.itp

[David van der Spoel]

rzangi at att.net wrote:
> Thanks. I am looking at other models as well, but was wondering how the numbers in urea.itp were obtained. What type of properties they were parametrized for?
> 
none. just copied from the gromos 87 ff.
> Ronen
> 
> -------------- Original message ----------------------
> From: David van der Spoel <spoel at xray.bmc.uu.se>
>> rzangi at att.net wrote:
>>> Does anyone know the reference for the parameters for urea in the urea.itp 
>> file (found in the top directory)?
>> Please don't use it as is. Check literature for better models.
>>
>>
>>> Thanks,
>>>
>>> Ronen
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>>
>> -- 
>> David.
>> ________________________________________________________________________
>> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>> Dept. of Cell and Molecular Biology, Uppsala University.
>> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
>> phone:	46 18 471 4205		fax: 46 18 511 755
>> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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