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10/12/2006

05:24 PM GROMACS Bug #111 (Closed): virial contributions in pull.c
When looking to the code pull.c (gmx-3.3.1) I see e.g that in the umbrella
sampling part a virial contribution is cal...

01/31/2006

03:40 PM GROMACS Bug #46 (Closed): Constraint or not turned off on slaves
If constaints where put on "none" in the mdp file:
Then in /mdlib/update.c :
/* if edyn->bEdsam == FALSE --- this ...

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