[gmx-users] Output files RMSD (xvg). Convert Nanometer to Angstrom.

Justin Lemkul jalemkul at vt.edu
Fri Mar 1 14:29:51 CET 2019

On 3/1/19 8:28 AM, Edjan Silva wrote:
> Dear,
> There is some command to convert my output files from the molecular
> dynamics, so that I can visualize the deviation of the trajectories in
> Angstroms instead of nanometers.

GROMACS uses SI units for everything. It is simple to write a script 
that will multiply all your values by 10, but it is not something that 
any GROMACS tool will do.



Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129


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