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How to get different trajectories #45

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haoxuanluo731 opened this issue Aug 3, 2024 · 1 comment
Open

How to get different trajectories #45

haoxuanluo731 opened this issue Aug 3, 2024 · 1 comment

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@haoxuanluo731
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I want to ask a question if I want to create different replicas,using a Maxwell distribution of velocities by specifying the parameter “gen_vel = yes” for each replica (I.e. to start new trajectories),I need to change the gen_seed in differernt number or keep the same number run in differernt replica.

@AegithalosCaudatus
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When generating replicas, you want them to diverge from each other (be different from each other) so you can perform RAMD of a different conformation of your system. Thats why you should have different seed numbers in your replica. Hope it helps!

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