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Procedure for concatenating multiple trajectories (.npy format) from Adaptive sampling simulation

Open SoumyaCYZ opened this issue 2 months ago • 1 comments

Hi @stefdoerr sir. I hope you are doing well. For TICA analysis of chignolin, I'm using the dihedral angle and pairwise distance as features. But I'm not getting the expected TICA. I've randomly concatenated many trajectories from adaptive sampling schemes. Maybe for this reason, I'm not getting the expected TICA plot. It'll be nice if you tell me the protocol for how I should concatenate the trajectories from the adaptive sampling. I have downloaded the trajectories from https://ftp.imp.fu-berlin.de/pub/cmb-data/

SoumyaCYZ avatar Sep 26 '25 02:09 SoumyaCYZ