Movement of chloride ions during MD

From: Luba Simhaev (luba.simhaev0703_at_gmail.com)
Date: Sun Oct 08 2017 - 06:21:53 CDT

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Dear NAMD users,

I'm trying to follow the movement of specific chloride ions during a MD
trajectory of a protein. But the chloride ions bounce all over the place.
It seems like a PBC issue but I was unable to fix it (e.g., using the
unwrap option of PBCtools in vmd).

Any suggestion would be appreciated.

Thanks
Luba

-- 
*Luba Simhaev*
*PhD Candidate*
*Chemistry **Department*
*Bar-Ilan University*

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