[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 <[EMAIL PROTECTED]> wrote:

From: Justin A. Lemkul <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] density graph ( density vs time)
To: "Discussion list for GROMACS users" <gmx-users@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
<[EMAIL PROTECTED]> wrote:
From: Justin A. Lemkul <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] density graph (
density vs time)
To: [EMAIL PROTECTED], "Discussion
list for GROMACS users" <gmx-users@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
<[EMAIL PROTECTED]> wrote:
From: Mark Abraham
<[EMAIL PROTECTED]>
Subject: Re: [gmx-users] density graph
( density
vs time)
To: "Discussion list for GROMACS
users"
<gmx-users@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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--
========================================

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

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