[gmx-users] Does gromacs simulate rotation correctly?

Arthur Roberts aroberts99163 at yahoo.com
Fri Oct 24 19:42:26 CEST 2008

Hi, all,

Just curious.  Does gromacs simulate rotation correctly?  From my  
observation, it would appear that every object in the simulation both  
small and large has a similar rotational correlation time, which is  
not reality.  I would expect water for example to have an extremely  
short rotational correlation time with respect to a protein.  I  
appreciate your input.

Best wishes,
Art Roberts
University of Washington
Seattle, WA

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