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<p class="MsoNormal"><font size="2" color="navy" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:navy">You can use trjconv to extract a frame from the trajectory, e.g.<o:p></o:p></span></font></p>
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<p class="MsoNormal"><font size="2" color="navy" face="Arial"><span style="font-size:
10.0pt;font-family:Arial;color:navy">trjconv –f xxx.trr –o xxx.gro –b ttt –e ttt<o:p></o:p></span></font></p>
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<p class="MsoNormal"><b><font size="2" face="Tahoma"><span style="font-size:10.0pt;
font-family:Tahoma;font-weight:bold">From:</span></font></b><font size="2" face="Tahoma"><span style="font-size:10.0pt;font-family:Tahoma"> gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org]
<b><span style="font-weight:bold">On Behalf Of </span></b>wuxiao<br>
<b><span style="font-weight:bold">Sent:</span></b> Wednesday, May 06, 2009 8:42 AM<br>
<b><span style="font-weight:bold">To:</span></b> <st1:PersonName w:st="on">gmx-users@gromacs.org</st1:PersonName><br>
<b><span style="font-weight:bold">Subject:</span></b> [gmx-users] Can we abstract any frame from the trajectory file(trr) and save it as a gro file?</span></font><o:p></o:p></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><font size="2" face="Verdana"><span style="font-size:10.0pt;font-family:Verdana">Dear gmx users,<br>
I have performed NPT MD simulations and achieved a trr file. Now I want to start another NVT MD simulations using some frame as the initial configuration. But I was puzzled by how to abstract any frame from the trajectory file and to save it as a gro file.
Please give me some hints. Thank you very much!<br>
<br>
best regards,<br>
xiaowu<o:p></o:p></span></font></p>
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