[gmx-users] Chlorine atom displacement

Samantha Rudinsky sam.rudinsky at steaminstruments.com
Wed Mar 11 19:59:56 CET 2020


I have followed the lysosome in water tutorial and I would like to know if
it is normal that the Cl atoms at some points instantaneously jump. I've
attached a graph of their position as a function of time. Is this an
artefact or numerical error?

Thanks,
Sam

Samantha Rudinsky, PhD
Steam Instruments


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