[gmx-users] ion jump out of protein

Homa Azizian hazizian at razi.tums.ac.ir
Sat Mar 14 12:10:48 CET 2009

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

This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.

More information about the gromacs.org_gmx-users mailing list