And the Potential is also positive. I cannot explain this as well. <br><br><div><span class="gmail_quote">On 9/5/07, <b class="gmail_sendername">uki zhu</b> <<a href="mailto:ukizhu@gmail.com">ukizhu@gmail.com</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, gmx-users,<br>These days I am trying to do some systems about carbon tubes. And I found Total Energy of the system is positive whether Energy Minimization or MD. The amount of Total Energy is about E03.
<br><br>For example,
<br>"" <br> <span style="font-weight: bold; background-color: rgb(255, 255, 51);">Step Time Lambda</span><br style="font-weight: bold; background-color: rgb(255, 255, 51);"><span style="font-weight: bold; background-color: rgb(255, 255, 51);">
5000 5.00000 0.00000</span><br style="font-weight: bold; background-color: rgb(255, 255, 51);"><br style="font-weight: bold; background-color: rgb(255, 255, 51);"><span style="font-weight: bold; background-color: rgb(255, 255, 51);">
Energies (kJ/mol)</span><br style="font-weight: bold; background-color: rgb(255, 255, 51);"><span style="font-weight: bold; background-color: rgb(255, 255, 51);"> Morse G96Angle Proper Dih. LJ (SR) Coulomb (SR)
</span><br style="font-weight: bold; background-color: rgb(255, 255, 51);"><span style="font-weight: bold; background-color: rgb(255, 255, 51);"> 5.92521e+02 9.76865e+02 6.24199e+03 -1.72019e+03 0.00000e+00
</span>
<br style="font-weight: bold; background-color: rgb(255, 255, 51);"><span style="font-weight: bold; background-color: rgb(255, 255, 51);"> Potential Kinetic En. Total Energy Temperature Pressure (bar)</span>
<br style="font-weight: bold; background-color: rgb(255, 255, 51);">
<span style="font-weight: bold; background-color: rgb(255, 255, 51);"> 6.09119e+03 3.32193e+03 9.41312e+03 3.02677e+02 8.29506e-02</span><br>""<br>in a log file.<br><br>Is anyone who can help me to solve this problem?
<br><br>Thanks very much.<br><span class="sg"><br>uki<br>
</span></blockquote></div><br>