[gmx-users] trjcat set timestep/amb2gmx?
jalemkul at vt.edu
Mon Apr 15 18:26:17 CEST 2013
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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