[gmx-developers] initial mass 0 in CVS version

pim schravendijk pimlists at googlemail.com
Tue Jan 23 18:48:24 CET 2007


I was just comparing the md.log output of an older gromacs version and
the current CVS:

The CVS version says:

Center of mass motion removal mode is Linear
We have the following groups for center of mass motion removal:
  0:  rest, initial mass: 0
There are: 3072 Atoms

whereas the old version says:

Center of mass motion removal mode is Linear
We have the following groups for center of mass motion removal:
  0:  rest, initial mass: 39995.1
There are: 3072 Atoms

Now I wonder what it should be, shouldn't 'rest' be my complete
system, with the corresponding mass, or is it zero mass because I
didn't select any group?

-- 
greetings, Pim



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