[gmx-users] Writing out individual coordinates

patrick wintrode pat_wde2 at yahoo.com
Thu Apr 19 21:58:01 CEST 2012


For each alpha carbon in my protein, I want to write out the x, y and z coordinates as separate time series.

If I use g_traj with the flags -oxt -x (or y orz) and -n along with an index file selecting the appropriate alpha carbon, will that do the trick? Does anyone know of a less cumbersome way of doing this?


Patrick L. Wintrode
University of Maryland School of Pharmacy
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