[gmx-users] Harmonic potential

[M.Naser]

Thanks David.

I have been wondering how I am supose to specify the molecules in the 1st
layer.

With regards,

Abu

> On Tue, 2004-12-21 at 18:52 +0000, M.Naser wrote:
>> Hi David,
>>
>> Thank you very much for your response.I have a protein in a water slab
>> which is placed in a vacuume. When I ran 1 ns run the water drifted away
>> from the slap into the vacumme which I did not want. I have wondering
>> whether I could apply harmonic potential in the water slab to stop
>> drifting water when I go for longer run. Could you please advise me how
>> to
>> apply harmonic potential in water slab or anyother way I can tackle the
>> problem?
> Sorry, that's not implemented, the only thing you could try is position
> restraints in the Z dimension for the outer layer of water
>>
>> With best regards,
>>
>> Abu
>>
>> > On Tue, 2004-12-21 at 15:30 +0000, M.Naser wrote:
>> >> Hi All User,
>> >>
>> >> Could anyone please tell me the way I can apply harmonic potential in
>> >> water slab.
>> >>
>> > please be more specific.
>> >
>> >> With regards,
>> >>
>> >> Abu
>> >>
>> >>
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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
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>>
>>
>> ________________________________________________________________
>>
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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://xray.bmc.uu.se/~spoel
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
> _______________________________________________
> gmx-users mailing list
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>



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Watt University does not accept liability or responsibility
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