[gmx-users] GROMACS to AMBER

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 10 19:09:31 CEST 2009

Edson Fauth Vargas Filho wrote:
> Hello all.
> I would like to know if there is a way to convert .trr or .xtc files 
> from GROMACS to .crd files (AMBER trajectory).

I once wrote a script that does the opposite (mdcrd -> xtc), so I imagine the 
opposite is possible, as well.  You can assemble a trajectory from sequential 
.pdb files as frames.  If you want to see the logic of what I did, the script is 
available at:



> Best regards,
> Edson.
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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