[gmx-users] (no subject)
hazizian at razi.tums.ac.ir
Sat Mar 14 07:15:28 CET 2009
Subject: Ion jump out of protein after MD
Date: Sat, 14 Mar 2009 09:45:28 +0330
Message-Id: <20090314061153.M77659 at razi.tums.ac.ir>
X-Mailer: OpenWebMail 2.53 20081220 334
X-OriginatingIP: 188.8.131.52 (hazizian)
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.
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