[gmx-users]-Snapshots

cuong nguyen nvcuong68 at gmail.com
Tue Jan 10 07:38:57 CET 2012


Thanks a lot Justin. I have just used trjconv -dump with the command
"trjconv -s NVT_final2ns.tpr -f NVT_final2ns -o trjconv.gro -dump 1" to
extract a frame. However, I still do not know how to get the snapshot like
a 3D picture .
Please help me!

Many thanks

Cuong Nguyen

2012/1/10 Justin A. Lemkul <jalemkul at vt.edu>

>
>
> cuong nguyen wrote:
>
>> Dear Users,
>>
>> Please let me know if we can get snapshot from GROMACS. I am using
>> version 4.4.
>>
>>
> The final configuration of any simulation is written to a coordinate file
> by default.  You can extract any frame from your trajectory using trjconv
> -dump.
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users>
> Please search the archive at http://www.gromacs.org/**
> Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists>
>



-- 
Nguyen Van Cuong
PhD student - Curtin University of Technology
Mobile: (+61) 452213981
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120110/d27be0a7/attachment.html>


More information about the gromacs.org_gmx-users mailing list