On 11/20/12 2:13 AM, cuong nguyen wrote:
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
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
: Wednesday, November 14, 2012 2:18 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Temperature Histogram
On 11/14/12 7:10 AM, Samadashvili Nino wrote:
> Dear Justin,
>
> I have been looking for some option to calculate the average temperature,
> locally in my system. I
On 11/14/12 7:10 AM, Samadashvili Nino wrote:
Dear Justin,
I have been looking for some option to calculate the average temperature,
locally in my system. I found g_traj which I can use with index file and
calculate temperature for a particular group in my system but somehow it gives
a wr
: Wednesday, November 07, 2012 7:16 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Temperature Histogram
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
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
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