[gmx-users] Not enough ref_t and tau_t values!
tsjerkw at gmail.com
Tue Mar 7 15:04:44 CET 2006
and then tried to make the index file again from the latter file. It
> didn't work either. But I thought the problem might be in the 'pdb'
> structure file produced by mdrun.
> Could this happen?
Is it possible that the three groups you give don't cover all the atoms in
your system? Besides, don't couple a handful of sodium atoms to a private
heat bath. Check the mailing lists... This has passed so many times. In your
case, go for two groups: Protein and Non-Protein, for which you don't need
an index file in the first place.
Tsjerk A. Wassenaar, M.Sc.
Groningen Biomolecular Sciences and Biotechnology Institute (GBB)
Dept. of Biophysical Chemistry
University of Groningen
9747AG Groningen, The Netherlands
+31 50 363 4336
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