Dear,
Thanks a lot for your suggestion Justin.
I have a box 3 3 20 and want to plot the temperature along the z axis. I
did the commands:
g_energy -f NVT_20ns.edr -s topol.top -o temp
g_analyze -f temp.xvg -dist temp.xvg
and got the results:
281.9 0 282 0.000149997 282.1 0 282.2 0 282.3 0 282.4 0 282.5 0
282.6 0 282.7 0 282.8 0 282.9 0 283 0 283.1 0 283.2 0 283.3 0 283.4
0 283.5 0 283.6 0 283.7 0.000149997 283.8 0 283.9 0 284 0 284.1
0.000149997 284.2 0 284.3 0.000149997
.........
I supposed the first column should start from 0 to 20.
Please tell me what's wrong I am doing?
Best regards,
Cuong
On 8 November 2012 01:16, Justin Lemkul <jalem...@vt.edu> wrote:
>
>
> On 11/7/12 11:42 AM, Samadashvili Nino wrote:
>
>> Hello,
>>
>> I would like to calculate temperature in my system along the axis.
>> Could you please tell me if there is a way to make a temperature histogram
>> with Gromacs?
>>
>>
> Use g_energy to extract temperatures from the .edr file, then g_analyze
> -dist on that .xvg file.
>
> -Justin
>
> --
> ==============================**==========
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> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
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> jalemkul[at]vt.edu | (540) 231-9080
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