[gmx-users] Time Step

asg2000 asg2000 at bol.com.br
Fri Feb 24 04:59:27 CET 2006


  Please, Do somebody knows to say me how much fs has the GROMACS 3.3 QM/MM compiled with mopac ? Is the standard 0.1 fs or 0.2 fs? How are the method to choice the value of time step in QM/MM? I know that to choice the value of the time step in MM is from the word (dt=value) at the mdp file.
          Very Thanks,
                       Arlan da Silva Gonçalves.




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