[gmx-users] g_rms: Too many iterations in routine JACOBI

nishtha pandey nishthap at gmail.com
Sat Jan 24 12:04:40 CET 2009

Hello everyone,
                     While trying to do the RMSD analysis of my trajectory
file I am facing the error " Too many iterations in routine JACOBI". I have
gone through the archives which suggests that such problem arises if there
is mismatch between the reference structure and trajectory. However in my
case the problem lies somewhere else because, using the same .tpr file and
.trr file I have done RMSD analysis earlier also and it worked fine.  The
g_rms program is giving error but, for the same set of input files g_rmsdist
is working fine.
        Kindly help.
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