[gmx-users] trjcat: joining randomized PDB files

Justin Lemkul jalemkul at vt.edu
Thu May 9 15:37:40 CEST 2013

On 5/9/13 9:35 AM, Anirban wrote:
> Dear ALL,
> I want to randomize the frames of my trajectory for calculating
> convergence. For this, I have dropped the frames as PDB files using trjconv
> and then renamed them randomly. Now I want to join these randomized PDB
> frames to get a randomized trajectory using trajcat. But somehow trjcat
> always joins them in proper frame order (inspite of completely random PDB
> file names). How can I join the randomly to get a randomized trajectory?
> Any suggestion is welcome.

Use -settime and give them arbitrary time values.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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