Problem with Savepdb.py
Posted: 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
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