[gmx-users] Re: Thanks a lot / information

[Justin A. Lemkul]

Please keep all correspondence on the gmx-users listserv so that it can be
archived for others to use in the future.

I have never used g_traj or done the type of analysis you proposed.  I simply
noted that velocities and forces are not written to .xtc files.  If you have
the .trr file, you should use that for your g_traj input, and it should contain
the information you need (depending upon the options you set in your .mdp file).

-Justin

Quoting Collins Nganou <nganoucollins at gmail.com>:

> Dear Justin
>
> Greetings and many thanks.
> But the think I didn't understand is that in gromacs 3.3 appendix D pages
> 244 - 245.
> I have command g_traj with imput file traj.xtc
> I have in my calculation file.trr
> How can I do to extract a velocity plot and eigenvector plot.
>
> Please, If you have some specific approach I will be very grateful to know
> to improve it.
>
>
> Thanks a lot for all your help.
>
>
>
> Collins
>



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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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