<html>
<blockquote type=cite class=cite cite><font size=2>Isn't it enough for an
traj.xtc output file if I simply indicate it on the<br>
input/output list of mdrun? If not, where (before) should I make a change
in<br>
some files to prepare the proper environment in order to get traj.xtc
from<br>
mdrun?</font></blockquote><br>
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.<br><br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9083<br>
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