[gmx-users] Trouble with g_disre and 'old' trajectory

[Marc Baaden]

Thanks David !

spoel at xray.bmc.uu.se said:
>> I recently rejuvenated g_disre, as it was severely broken. The version
>> in CVS now works fine for me at least... 

yes indeed, the output looks much more 'believable'. Now my problem still
is though that it looks different from what my colleague had ..

.. now I wonder what the implications are ..

- when you say things were broken, this relates to analysis by g_disre
  only ? Or is/was there also a problem in the actual topology/mdrun code
  (going back eg to gmx2.0 .. ?)

- so I guess my question is also, "is it safe" to analyze any previous distance
  restraint data (from former Gromacs versions, too) with the current CVS
  version of g_disre

  Marc

-- 
 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
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