Greetings:
I am trying to do cluster analysis. I used ptraj to create a coordinate file
with only 50 frames without waters. Then I created a topology file
without waters. I used the no water topology and coordinate files to
cluster. The representative cluster pdb files were created however I
encounter an error that reads: Failed on when looking for box coordinates;
Too many iterations in routine JACOBI. I am not sure why this is happening.
Any suggestions? Thanks
--
Shenna
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Received on Fri Jun 25 2010 - 11:30:03 PDT
