And the Potential is also positive. I cannot explain this as well.
On 9/5/07, uki zhu <[EMAIL PROTECTED]> wrote: > > Hi, gmx-users, > 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. > > For example, > "" > Step Time Lambda > 5000 5.00000 0.00000 > > Energies (kJ/mol) > Morse G96Angle Proper Dih. LJ (SR) Coulomb > (SR) > 5.92521e+02 9.76865e+02 6.24199e+03 -1.72019e+03 > 0.00000e+00 > Potential Kinetic En. Total Energy Temperature Pressure > (bar) > 6.09119e+03 3.32193e+03 9.41312e+03 3.02677e+02 > 8.29506e-02 > "" > in a log file. > > Is anyone who can help me to solve this problem? > > Thanks very much. > > uki >
_______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
