[CP2K-user] [CP2K:12604] Re: box water

[Travis]

Hi,

Use the coordinates from H2O-256.inp, 19.734 Ang per side

-T

On Thursday, December 5, 2019 at 7:37:30 PM UTC-4, alejandro martinez wrote:
>
> hello travis ... thank you very much for your contributions, the water box 
> that I want to generate must have dimensions of 20 Amstrom in xyz, I would 
> like to know if I can modify any of the ones you mention in your answer ... 
> thank you very much
>
> El jue., 5 de dic. de 2019 a la(s) 18:36, alejandro martinez (
> al... at gmail.com <javascript:>) escribió:
>
>> hello lucas thank you very much for your help ... right now I'm looking 
>> at the packmol manual
>>
>> El jue., 5 de dic. de 2019 a la(s) 18:04, Travis (po... at gmail.com 
>> <javascript:>) escribió:
>>
>>> Hi,
>>>
>>> What box size do you need? CP2K has water boxes in /test/QS/benchmark, 
>>>
>>> H2O-1024.inp H2O-128.inp H2O-2048.inp H2O-256.inp H2O-32.inp H2O-
>>> 4096.inp H2O-512.inp H2O-64.inp H2O-8192.inp
>>>
>>> They are pre-equilibrated boxes using TIP5P, 1 bar, and at 300 K. Just 
>>> copy the coordinates out of there.
>>>
>>> -T
>>>
>>> On Thursday, December 5, 2019 at 5:15:41 PM UTC-4, alejandro martinez 
>>> wrote:
>>>>
>>>> Good afternoon dear developer friends, I have a doubt. I need to 
>>>> prepare a water box for a dynamic and I would like to know what program can 
>>>> be done that does not require many facilities .. greetings
>>>>
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>>> .
>>>
>>
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