[gmx-users] Analysis of enssemble of MD trajectories

[James Starlight]

Justin, Francesco,

thanks for advises.

James

2012/9/21 Justin Lemkul <jalemkul at vt.edu>:
>
>
> On 9/21/12 2:11 AM, James Starlight wrote:
>>
>> Dear collegues
>>
>> Thank for advices. Indeed Gromacs is able to analyse two trajectories
>> with g_rms ( with the flags -f and -f2 ) but as the result I've obtain
>> graph with one rmsd plot so I'm not sure about implementation of that
>> method.
>>
>> So I think that the algorithm proposed by Justin was exactly what I
>> need. But I'm not sure also how I could do such ploating of results of
>> the different g_rms analyses to one common graph ( when I analyse new
>> trajectory and save it by the -o result.xvg if the result.xvg was
>> already exist the old graph is back up to the #result.xvg# etc ).
>>
>
> Choose new file names each time.  If you have, for instance, result1.xvg,
> result2.xvg, and result3.xvg, just load them in XmGrace:
>
> xmgrace result*.xvg &
>
> They will all appear in the same plotting area.
>
>
> -Justin
>
> --
> ========================================
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> 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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