Subject: Ion jump out of protein after MD Date: Sat, 14 Mar 2009 09:45:28 +0330 Message-Id: <[email protected]> X-Mailer: OpenWebMail 2.53 20081220 334 X-OriginatingIP: 194.225.58.210 (hazizian) MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1
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 -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
