[gmx-users] metal ion go out of protein after md

Homa Azizian hazizian at razi.tums.ac.ir
Wed Mar 11 07:59:15 CET 2009

after 30 ns MD, the 2 metal ion (MN) jumpe out of their active site, why 
does it ocure?
how could I fix this problem, is it necessary to do the job again? 

Thank's for replying.
Tehran University of Medical Sciences

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