VMD-L Mailing List

From: Maria Sanchez (masfch_at_gmail.com)
Date: Thu Nov 06 2008 - 09:16:20 CST

Hi,

When trying to calculate the RMSD for my trajectories, I've also encountered
the error "Matrix: Warning: no convergence.....after 1000 iterations". For
this calcualtion I am using unwrapped coordinates. What surprises me most is
that three months ago I was able to do this calculation using exactly
the same script and the same trajectories, but now I am unsuccesful. I
searched in the mailing list and there is a very recent post about this
problem, but I still don't know what is happening. I would appreciate any
comments about this.

Thanks,
Maria