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by Ali Sinan Saglam
Thu Oct 04, 2012 8:55 am
Forum: MSMBuilder
Topic: PCCA+ eigenvalue convergence issue
Replies: 1
Views: 1018

PCCA+ eigenvalue convergence issue

Hi everyone, I'm new to msmbuilder, I've been trying to get a macro state model of barnase (1 microsec. simulation with GROMACS, saved every picosecond, in 10 xtc files each containing 0.1 microsecond trajectories) with various parameters. I've tried using backbone (I specified the atom indices) RMS...