[gmx-users] trjcat set timestep/amb2gmx?

[Justin Lemkul]

On 4/15/13 12:23 PM, Steven Neumann wrote:
> Dear Gmx Users,
>
> I obtained dcd trajectory from simulation in another software. I wish to
> merge many trajectories using trjcat with a proper timestep. Is that option
> possible using gromacs or shall use a script to produce tpr file from my
> prmtop file e.g. amb2gmx ? Any links for such a script?
>

If you linked against VMD libraries when installing, Gromacs can handle any 
trajectory/coordinate file format that VMD can, thus requiring no conversion. 
If you need a .tpr file to do the analysis you are trying to do, then yes, you 
need to convert topology information into the proper format.

-Justin

-- 
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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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