Subject: Ion jump out of protein after MD
Date: Sat, 14 Mar 2009 09:45:28 +0330
Message-Id: <20090314061153.m77...@razi.tums.ac.ir>
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Hi
Sorry I repeat my question again,
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.
Thanks
--
Tehran University of Medical Sciences
www.tums.ac.ir
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