When you run an NVT simulation the box coordinates are not written out in the edr file. You can try to extract the box information from your trajectory files.<br><br><div class="gmail_quote">On Fri, Aug 13, 2010 at 6:42 PM, Rama G <span dir="ltr"><<a href="mailto:jujurama@yahoo.com">jujurama@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div>
<br>
Thanks guys,<br><br>Sorry, I did not find "Density" in version 4.0.7. nor Box-X, Y, Z.<br>Any other way out?<br><br>Best,<br><br>Juju<br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">
<br><div style="font-family: arial,helvetica,sans-serif; font-size: 13px;"><font face="Tahoma" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Jussi Lehtola <<a href="mailto:jussi.lehtola@helsinki.fi" target="_blank">jussi.lehtola@helsinki.fi</a>><br>
<b><span style="font-weight: bold;">To:</span></b> <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br><b><span style="font-weight: bold;">Sent:</span></b> Fri, August 13, 2010 3:29:56 PM<div class="im">
<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] Check V for NVT<br></div></font><div class="im"><br>
On Fri, 13 Aug 2010 18:23:40 -0400<br>"Justin A. Lemkul" <<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>> wrote:<br>> Rama G wrote:<br>> > Hi Gmx users,<br>> > <br>> > I am using 4.0.X version of Gromacs and doing a NVT simulation. Now<br>
> > I wanna check if the Volume is constant after the simulation.<br>> > I tried g_energy but did not find "Volume" in the pool of the<br>> > options. Can anyone help me?<br>> > <br>> <br>
> Box-X, -Y, and -Z are in the .edr file. From these, you can<br>> calculate the volume.<br><br></div>Or, you can just tell g_energy to calculate the density - if it's<br>constant then so is the volume...<br>-- <br>
------------------------------------------------------<br>Jussi Lehtola, FM, Tohtorikoulutettava<br>Fysiikan laitos, Helsingin Yliopisto<br><a href="mailto:jussi.lehtola@helsinki.fi" target="_blank">jussi.lehtola@helsinki.fi</a>, p. 191 50632<br>
------------------------------------------------------<br>Mr. Jussi Lehtola, M. Sc., Doctoral Student<br>Department of Physics, University of Helsinki, Finland<br><a href="mailto:jussi.lehtola@helsinki.fi" target="_blank">jussi.lehtola@helsinki.fi</a><br>
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