Ehsan Mirafzali
unread,Dec 2, 2023, 11:37:33 PM12/2/23Sign in to reply to author
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Hi,
I am currently working on tutorials 7.2 and 7.3 in WESTPA and am interested in generating full trajectory movies. However, I am uncertain about the process, specifically regarding the creation of a DCD file for the entire trajectory.
I have come across some codes that might be useful for this purpose, but they seem to require .h5 files for each iteration in traj_segs. Unfortunately, I do not possess these files and am unclear on how to generate them.
Could anyone provide guidance or advice on how to proceed with this? Any suggestions or instructions on creating .h5 files or alternative methods for generating full trajectory movies would be greatly appreciated.
Thank you in advance for your help!