[gmx-users] Re: density graph ( density vs time)

[Justin A. Lemkul]

hhhh huan wrote:
> Dear Justin and all gmx users,
>  I double checked the density graph (obtained by using g_energy, option 18) which is a energy at y-axis and time at the x-axis. but how can i get a density vs time graph?
> 

g_energy defaults to kJ/mol as its unit, but in the case of density it is 
actually measuring kg/m^3.  I don't know if this is a bug or just a default, but 
in any case, you actually do have density vs. time.

-Justin

> Here i attacthed the graph that i obtained using g_energy.
> 
> Thank you guys.
> 
> 
> 
> 
> --- On Wed, 10/29/08, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> 
>> From: Justin A. Lemkul <jalemkul at vt.edu>
>> Subject: Re: [gmx-users] density graph ( density vs time)
>> To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
>> Date: Wednesday, October 29, 2008, 12:05 AM
>> Jochen Hub wrote:
>>>
>>> hhhh huan wrote:
>>>> I used g_energy before but i just obtained density
>> (y-axis) versus box
>>> length (x axis).
>>>
>>>
>>>
>>> hhhh huan wrote:
>>>> Previously i obtained a density (y-axis) versus
>> box length (x axis)
>>> using g_density..
>>>
>>>
>>> Sounds like a contradition to me... :-)
>> Indeed; the g_energy output gives the x-axis as time...
>>
>> -Justin
>>
>>>
>>>
>>>
>>>
>>>> thanks
>>>>
>>>> --- On Tue, 10/28/08, Justin A. Lemkul
>> <jalemkul at vt.edu> wrote:
>>>>> From: Justin A. Lemkul <jalemkul at vt.edu>
>>>>> Subject: Re: [gmx-users] density graph (
>> density vs time)
>>>>> To: scottiehuan at yahoo.com, "Discussion
>> list for GROMACS users" <gmx-users at gromacs.org>
>>>>> Date: Tuesday, October 28, 2008, 11:31 PM
>>>>> hhhh huan wrote:
>>>>>> Dear all, 
>>>>>>
>>>>>> Previously i obtained a density (y-axis)
>> versus box
>>>>> length (x axis) using g_density..
>>>>>> So now i wonder is it there is another way
>> that we can
>>>>> use other way to obtain a density (y axis)
>> versus time
>>>>> length (x-axis).
>>>>> Use g_energy.
>>>>>
>>>>> -Justin
>>>>>
>>>>>> Thanks..
>>>>>>
>>>>>>
>>>>>> --- On Tue, 10/28/08, Mark Abraham
>>>>> <Mark.Abraham at anu.edu.au> wrote:
>>>>>>> From: Mark Abraham
>> <Mark.Abraham at anu.edu.au>
>>>>>>> Subject: Re: [gmx-users] density graph
>> ( density
>>>>> vs time)
>>>>>>> To: "Discussion list for GROMACS
>> users"
>>>>> <gmx-users at gromacs.org>
>>>>>>> Date: Tuesday, October 28, 2008, 4:46
>> PM
>>>>>>> hhhh huan wrote:
>>>>>>>> Dear all gmx-users and developers.
>>>>>>>>
>>>>>>>> I wish to get a density graph with
>> density
>>>>> versus time
>>>>>>> instead of nm, so how can i obtained
>> this?
>>>>>>> Please ask a more specific question.
>> We can't
>>>>> tell
>>>>>>> whether your problem 
>>>>>>> is knowing what tool to use, how to
>> use it, how to
>>>>> label
>>>>>>> axes of plots 
>>>>>>> or something else.
>>>>>>>
>>>>>>> Mark
>>>>>>>
>> _______________________________________________
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>>>>>>       
>>>>>>
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>>>>> -- 
>>>>> ========================================
>>>>>
>>>>> Justin A. Lemkul
>>>>> Graduate Research Assistant
>>>>> Department of Biochemistry
>>>>> Virginia Tech
>>>>> Blacksburg, VA
>>>>> jalemkul[at]vt.edu | (540) 231-9080
>>>>>
>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>>>> ========================================
>>>>       
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>>>
>> -- 
>> ========================================
>>
>> Justin A. Lemkul
>> Graduate Research Assistant
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
>> ========================================
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> 
> 
>       
> 
> 
> ------------------------------------------------------------------------
> 

-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================