[gmx-users] How to convert gromacs traj file(.xtc) to amber traj file?

David van der Spoel spoel at xray.bmc.uu.se
Tue Sep 9 08:53:54 CEST 2008


Omer Markovitch wrote:
> Are you sure this will be done automaticaly if you'll procide gromacs 
> with an output file called filename.trj?
> There is also the option of converting into PDB: "trjconv -f traj.xtc -o 
> trajtraj.pdb -s coordinates.gro".
> omer.

try

trjconv -o blabla.g87 -f something

> 
> Koby Levy research group,
> Weizmann Institute of Science.
> http://www.weizmann.ac.il/sb/faculty_pages/Levy/
> 
> 
> On Mon, Sep 8, 2008 at 20:14, ranqi zhu <zhuranqi at msn.com 
> <mailto:zhuranqi at msn.com>> wrote:
> 
>     Hi, Everyone,
> 
>     I just want to use the clustering tool in amber which only take trj
>     file.
> 
>     Thanks
> 
>     -Ranqi
> 
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> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se



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