[gmx-users] ion jump out of protein

[Homa Azizian]

Hi 
I mean after MD the ion was not in the active site, the location of ion is 
out of the protein.

> My ion jump out of the protein after MD.My ion (MN) has not any covalant 
> bond by its neibour, just has electrostatic intraction. 
> is there any line that I have to add to the itp file or top file in order 
> to 
> prevent this problem. 
> 

--
Tehran University of Medical Sciences
www.tums.ac.ir


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