<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><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 <jussi.lehtola@helsinki.fi><br><b><span style="font-weight: bold;">To:</span></b> gmx-users@gromacs.org<br><b><span style="font-weight: bold;">Sent:</span></b> Fri, August 13, 2010 3:29:56 PM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [gmx-users] Check V for NVT<br></font><br>
On Fri, 13 Aug 2010 18:23:40 -0400<br>"Justin A. Lemkul" <<a ymailto="mailto:jalemkul@vt.edu" href="mailto:jalemkul@vt.edu">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>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 ymailto="mailto:jussi.lehtola@helsinki.fi"
href="mailto:jussi.lehtola@helsinki.fi">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 ymailto="mailto:jussi.lehtola@helsinki.fi" href="mailto:jussi.lehtola@helsinki.fi">jussi.lehtola@helsinki.fi</a><br>------------------------------------------------------<br>-- <br>gmx-users mailing list <a ymailto="mailto:gmx-users@gromacs.org" href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><span><a target="_blank" href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a></span><br><span>Please search the archive at <a target="_blank" href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!</span><br>Please don't post (un)subscribe requests to the list. Use the <br>www interface or send
it to <a ymailto="mailto:gmx-users-request@gromacs.org" href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br><span>Can't post? Read <a target="_blank" href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a></span><br></div></div>
</div><br>
</body></html>