[gmx-users] Analysis of enssemble of MD trajectories
jmsstarlight at gmail.com
Sun Sep 23 18:25:42 CEST 2012
thanks for advises.
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
>> 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 A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> gmx-users mailing list gmx-users at gromacs.org
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
More information about the gromacs.org_gmx-users