[gmx-users] GROMOS vs. GROMACS

[Nguyen Hoang Phuong]

Dear Gromacs User,

The GROMOS and GROMACS are used to simulate the same system of a peptide
in water. The force field 43A1 are employed. The same input parameters
(in the mdp file) are used. However, the temperature is
shifted if GROMACS is used and I get the right temperature if GROMOS is
employed.

Does anyone has the experience with this problem?

Thanks,

N. H. Phuong