Hi,
I am running 2 sequential minimizations with the same mdp file. As expected the
second minimization stops in step zero and the resulting structures of the 2
minimization runs are identical (RMSD=0.0). But, the energies of the last step
of the first minimization (step 14) and the zero step o
On 17/02/2011 6:47 PM, Efrat Noy wrote:
Hi,
I am running 2 sequential minimizations with the same mdp file. As
expected the second minimization stops in step zero and the resulting
structures of the 2 minimization runs are identical (RMSD=0.0). But,
the energies of the last step of the first m
2 matches
Mail list logo