What about the initial structure of the run?<br><br><div><span class="gmail_quote">On 11/17/05, <b class="gmail_sendername">Emma Falck</b> <<a href="mailto:efalck@cc.hut.fi">efalck@cc.hut.fi</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<br><br>My problem is with the trjconv command. I am trying to convert a trajectory<br>in the .trr format to a trajectory in the .gro format, such that the<br>molecules are whole in the resulting trajectory. To do so, I use trjconv
<br>with the option '-pbc whole'. Even so, my molecules -- both lipids and<br>water molecules -- are broken in the resulting .gro file.<br><br>I recently installed Gromacs 3.3 to my PowerBook, that runs OS X 10.4.<br>I did not compile Gromacs from the source, but used the OS X package provided
<br>on the gromacs pages.<br><br>Has anyone else had related/similar problems with trjconv, in particular with<br>OS X?<br><br>Best regards,<br><br>Emma<br><br>--<br>Dr. Emma Falck<br>Beckman Institute, UIUC<br>_______________________________________________
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Old Dominion University, "VIRGINIA".<br>