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:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/scripts.html
-Justin
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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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