[gmx-users] GROMOS vs. GROMACS

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Thu Feb 28 16:05:28 CET 2002

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

Does anyone has the experience with this problem?


N. H. Phuong

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