[gmx-users] question about the total-energy of energy minimization

2007-04-11 Thread Qiao Baofu
Hi all, I run an energy minization, then calculated the energy, obtained the following results: LJ-(SR)-4431.621905.29 1886.7 -27.08 - 919.923 Coulomb-(SR) -35926.514398.414389.9 -50.5129 -1715.95 Potential -46818.1

Re: [gmx-users] question about the total-energy of energy minimization

2007-04-11 Thread Mark Abraham
Qiao Baofu wrote: Hi all, I run an energy minization, then calculated the energy, obtained the following results: LJ-(SR)-4431.621905.29 1886.7 -27.08 -919.923 Coulomb-(SR) - 35926.514398.414389.9 -50.5129 -1715.95 Potential