hi all
I am doing something similar to the NEB tutorial by Ross Walker. at
the end of the simulation a large number of conformations are
generated. i visualize all trajectories in VMD together in all frames.
whrn i have to calculate the psi and phi angles, i select the 4 atoms
once and thn keep changing tframes and automatically psi and psi value
keep changing for each one of them.
bt since large no of conformers are generated, is thr any way out that
the angles are listed so that a graph can be easily mapped?
please guide me.
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Received on Wed Apr 18 2007 - 06:07:28 PDT
