Hi, I feel like I'm missing something obvious here. How do I say
"Find me the distance between atom1 and atom2 in state 4" or "select all waters that are within 5.0 angstroms of residue 15 during state 7" I'm trying to analyze various properties throughout the course of a trajectory. I made an el cheapo hack that loads up a chunk of the trajectory, calls split_states, calculates things for the individual states, deletes everything, loads up the next chunk, etc. It's really slow, though. It's even slower (or blows up) if I load the whole thing up and call split_states for my many-nanosecond trajectory. Thanks, -Michael -- Biophysics Graduate Student Carlson Lab, University of Michigan http://www.umich.edu/~mlerner http://lernerclan.net
