Problem with Savepdb.py

Provide extensible software for building Markov State Models.
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晓骏 曾
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Joined: Tue Oct 23, 2012 8:12 am

Problem with Savepdb.py

Post by 晓骏 曾 » Sat Jan 05, 2013 6:01 am

Dear all:
I am new with the MSMbuilder. While trying to save the pdb as the seed from the microstates, I encounter the problem of "IndexError :index out of bounds".

My input files contain four trajectories and 12347 frames in each tarjectory. First I cluster all of them into 200 microstates and then use the command : SavePDBs.py -a Data/Assignments.h5 -s 0 10 20 .....180 190 -c 1.

Could andone help me with this problem?

Thank you very muck.
Little Snake

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