[gmx-users] Harmonic potential

M.Naser mn2 at hw.ac.uk
Tue Dec 21 19:52:21 CET 2004


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?

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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This e-mail and any files transmitted with it are confidential
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whom it is addressed.  If you are not the intended recipient
you are prohibited from using any of the information contained
in this e-mail.  In such a case, please destroy all copies in
your possession and notify the sender by reply e-mail.  Heriot
Watt University does not accept liability or responsibility
for changes made to this e-mail after it was sent, or for
viruses transmitted through this e-mail.  Opinions, comments,
conclusions and other information in this e-mail that do not
relate to the official business of Heriot Watt University are
not endorsed by it.
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