[gmx-users] g_disre problem
bharish at princeton.edu
Thu May 22 22:24:45 CEST 2014
I'm trying to use g_disre to analyze NOE-derived distance restraints in my simulation as :
g_disre -s gromacs46-run20.tpr -f run-20-dt100-nojump.pdb
And I get the error (logfile attached) :
Program g_disre, VERSION 4.6.5
Source code file: /root/gromacs-4.6.5/src/tools/gmx_disre.c, line: 189
tpr inconsistency. ndr = 728, label = 0
Now there are 728 distance restraints, indexed from 0 to 727 in the itp file and they are read correctly (from log file: There are 4646 distance restraints involving 4646 atom pairs, there is more than one pair in each restraint).
So I don’t know how to fix this now.
Thanks in advance for any help,
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