[gmx-users] converting .xtc into .xyz

[Justin Lemkul]

On 11/4/17 3:22 PM, Iman Ahmadabadi wrote:
> Dear Users,
>
> How could I convert .xtc (or .trr) file of output of a run frames into .xyz
> format? my mean is to obtaining one .xyz file for whole frames that created
> by run?

Use trjconv to convert to a plain-text trajectory format like .gro or 
.pdb and convert in whatever manner you can to .xyz (whatever that 
specification is, but it will require non-GROMACS programs or scripts to 
do).

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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jalemkul at vt.edu | (540) 231-3129
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