Thanks, Justin: <br><br>I use 4.0. Mine is here: <br>-------------------------------------------------------------------<br> 1 LJ-(SR) 2 Disper.-corr. 3 Coulomb-(SR) 4 Coul.-recip. <br> 5 Potential 6 Kinetic-En. 7 Total-Energy 8 Temperature <br>
9 Pressure-(bar) 10 Vir-XX 11 Vir-XY 12 Vir-XZ <br> 13 Vir-YX 14 Vir-YY 15 Vir-YZ 16 Vir-ZX <br> 17 Vir-ZY 18 Vir-ZZ 19 Pres-XX-(bar) 20 Pres-XY-(bar) <br>
21 Pres-XZ-(bar) 22 Pres-YX-(bar) 23 Pres-YY-(bar) 24 Pres-YZ-(bar) <br> 25 Pres-ZX-(bar) 26 Pres-ZY-(bar) 27 Pres-ZZ-(bar) 28 #Surf*SurfTen <br> 29 Mu-X 30 Mu-Y 31 Mu-Z 32 T-System <br>
<br>They are not there, I am wondering why? <br>-Xianghong Qi<br><br><div class="gmail_quote">On Wed, Nov 5, 2008 at 4:20 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="Ih2E3d"><br>
<br>
xianghong qi wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hello, all:<br>
<br>
I checked the mailing list. Looks like g_energy can calculate density vs time, but<br>
my g_energy doesn't have options like density, volume? I am wondering how I can<br>
get my density vs time graph? Any suggestion is appreciated. Thanks.<br>
</blockquote>
<br></div>
Look more closely. Both versions of Gromacs that I am currently using (3.3.3 and 4.0) have options for Density, Volume, and Box vectors as output from g_energy.<br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="Ih2E3d">
<br>
-Xianghong Qi<br>
<br>
<br>
<br>
-- <br>
Some people make the world more special just by being in it.<br>
<br>
<br></div>
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</blockquote>
<br>
-- <br>
========================================<br>
<br>
Justin A. Lemkul<br>
Graduate Research Assistant<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | (540) 231-9080<br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Some people make the world more special just by being in it.<br>