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 <jalem...@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@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-requ...@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
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