[gmx-users] lincs regular output

chris.neale at utoronto.ca chris.neale at utoronto.ca
Sun Sep 10 20:56:48 CEST 2006

When using LINCS, I get an output message at the frequency of nstlog (which 
makes me think that it is ok and not an error). Can anybody confirm that this is 
regular output?

   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         0.135628      3      4   0.019061
        After LINCS         0.000007     33     34   0.000002

This is a message that I get even when I don't get any complaining about 
rotation greater then 30deg.

Thanks. I am sure that this has been touched on before, but there is so much 
discussion about lincs that my searches didn't lead me anywhere useful.

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