[gmx-users] Stop drifting of water molecule

[M.Naser]

Hi andre',

Thank you very much for you quick response.

Thanking you again,

Abu


> On Fri, 1 Oct 2004, M.Naser wrote:
>
>> Hi User,
>>
>> I have got a water slab in a vacuume box. I have been wondering whether
>> the water molecules will drift away into the vacumme. If yes, please
>> advise me how to stop it. I want the water molecule move within the slab
>> and not drift away in the vacuume.
>>
>> Many thanks in advance,
>>
>> Abu
>
> hi Abu,
>
> as long as the geometry of your simulation box is
> adequately minimized you should get a stable water
> slab in vacuum. I've made several such simulations
> and only rarely one or another water molecule left
> the slab to diffuse into the evacuated region.
>
> I hope it helps,
>
> best regards,
>
> andre'
>
>>
>>
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