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Hi,<br><br>You don't indicate which xvg file was 0, I guess pullf.xvg.<br>Could it be that you did not specify a force constant, meaning fc=0?<br><br>Berk<br><br>> From: genesup@gmail.com<br>> To: gmx-users@gromacs.org<br>> Date: Tue, 13 Jan 2009 14:26:47 +0300<br>> Subject: [gmx-users] Pull Code problems<br>> <br>> Hello,<br>> <br>> I am trying to run a pulling simulation with gromacs 4.0.2.<br>> <br>> I have appended the following pull code to the mdp file:<br>> <br>> ;-----------PULL CODE ---------------------<br>> <br>> pull        =        umbrella<br>> pull_geometry        = direction<br>> pull_group0        = r_500<br>> pull_group1        = r_535<br>> pull_vec1        = -1.306 1.355 -0.319<br>> <br>> Where r_500 is the group I am expecting to be pulled,<br>> r_535 - the reference (the acid that is in fact in contact with<br>> r_500)<br>> <br>> I have left all remaining parameters with default values. <br>> <br>> The problem is that NOTHING HAPPENED! XVG file had 0.0000 throughout<br>> simulation indicating that distance between pull group and reference<br>> group was 0! <br>> <br>> 1/ What did I do wrong?<br>> 2/ Is there any pull code tutorial for gromacs 4 (not previous<br>> version)? <br>> <br>> Thank you!<br>> SDA<br>> <br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />What can you do with the new Windows Live? <a href='http://www.microsoft.com/windows/windowslive/default.aspx' target='_new'>Find out</a></body>
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