Hello. What do you mean by "jump"? Perhaps the "connected MN" is a stable state? If you'll supply more details we could try to help you better. --Omer.
On Sat, Mar 14, 2009 at 08:15, Homa Azizian <haziz...@razi.tums.ac.ir>wrote: > 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. >
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