trjconv with -dump option, (give the time in ps), then it will dump the file at that time<br><br>
<div><span class="gmail_quote">On 1/8/06, <b class="gmail_sendername">Rongliang Wu</b> <<a href="mailto:wurl04@iccas.ac.cn">wurl04@iccas.ac.cn</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hello gmx-users,<br><br> i've finished a NPT simulation, but the structure file i get at the end is that of the last frame, if i'd like to get a structure of a certain time from the trajectory file, which command should i use? trjconv? or anything else?
<br><br>Thanks!<br><br>Regards!<br><br>Sincerely,<br><br>Rongliang Wu<br>State Key Laboratory<br>of Polymer Physics and Chemistry<br>Center of Molecular Science<br>Institute of Chemistry<br>Chinese Academy of Sciences<br>
<br><br><a href="mailto:wurl04@iccas.ac.cn">wurl04@iccas.ac.cn</a><br>2006-01-09<br><br>_______________________________________________<br>gmx-users mailing list<br><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org
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