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<blockquote type=cite class=cite cite>I read in documentation that we
have to use trjconv command for it, but what options do i use for doing
this? Do i need to make a seperate index life for this??<br>
what <b>command</b> should i give to carry out this
task?</blockquote><br>
Generate an index file using make_ndx. Have in there a group that
contains all the molecules you want to remain in the trajectory, so that
may be protein and ions. Then run trjconv using that index file and
select the index group with the protein and ions in it.<br><br>
e.g.<br>
make_ndx -f conf.gro -o index.ndx<br>
trajconv -f traj.xtc -o traj_nw.xtc -n index.ndx<br><br>
Catch ya,<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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