<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:12pt"><div>Hi,</div><div> I am having a problem with trjconv to get a single snap-shot from a trajectory file. I am using gromacs 4.0.7 .</div><div>If I try to get a snapshot corresponding to 14 ps, I was trying to use "-b 14 -e 14 " command as follows. But,</div><div>If I issue this command as shown below</div><div>trjconv --f traj.xtc -o conf_pep.gro -s topol.tpr -b 14.0 -e 14.0 </div><div> it crashes with following error:</div><div><div>Precision of traj.xtc is 0.001 (nm)</div><div>Using output precision of 0.001 (nm)</div><div><br></div><div>WARNING no output, trajectory ended at 14</div></div><div><br></div><div>However, if I issue the same trjconv command using "-dump 14" as shown below, trjconv provides the correct snapshot at 14
ps:</div><div>trjconv --f traj.xtc -o conf_pep.gro -s topol.tpr -dump 14.0 </div><div>But, this "-dump 14" command becomes extremely time consuming as I was trying to get the snap-shot for a long time i.e around 30000ps . So, I am trying to get "-b 14 -e 14" command work . So, I was wondering whether you have any clue how to get around with this.</div><div>Sanku</div><div><br></div><div><br></div><div style="position:fixed"></div>
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