[gmx-users] Differences in the bonded potentials in 3.3.2 vs. 3.3.1

I used the same trp file for both runs, which was created with 3.3.1. I also tried by creating the trp with the respective grompp version and the same output resulted. There were no errors or warnings when I ran grompp to create the trp file. Amadeu >* *>* My student and I hav

[gmx-users] Differences in the bonded potentials in 3.3.2 vs. 3.3.1

? --Amadeu Initial set of energy obtained from the same TPR file. Both output were obtained with the single precision versions. *Output from Gromacs-3.3.2:* Energies (kJ/mol) Morse G96AngleProper Dih.LJ (SR) Disper. corr. 5.78994e+031.44076e+04