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- Thu Oct 04, 2012 8:55 am
- Forum: MSMBuilder
- Topic: PCCA+ eigenvalue convergence issue
- Replies: 1
- Views: 1120
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...