[gmx-users] Trouble with g_disre and 'old' trajectory
baaden at smplinux.de
Fri Aug 16 12:47:20 CEST 2002
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
Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
mailto:baaden at smplinux.de - ICQ# 11466242 - http://www.marc-baaden.de
FAX/Voice +49 697912 39550 - Tel: +44 1865 275380 or +33 609 843217
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