[gmx-users] traj.xtc

Dallas Warren dallas.warren at vcp.monash.edu.au
Thu Jun 26 00:10:01 CEST 2003

>Isn't it enough for an traj.xtc output file if I simply indicate it on the
>input/output list of mdrun? If not, where (before) should I make a change in
>some files to prepare the proper environment in order to get traj.xtc from

No.  See page 130 of the manual, under 7.3.7 Output Control.  You need to 
set nstxtcout and then optionally xtc_precision and xtc_groups in your 
md.mdp file.

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.
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