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Hi,<br><br>I fixed the virtual site charge group issue in mdrun for 4.0.1.<br>Now vsite aromatics will run fine.<br><br>But there is still an issue in pdb2gmx for some proteins<br>when selecting the OPLS force field.<br>I hope we can fix this for 4.0.1.<br><br>Berk<br><br>> Date: Tue, 4 Nov 2008 11:32:46 -0500<br>> From: chris.neale@utoronto.ca<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] RE: vsite problem in gromacs 4.0<br>> <br>> Hi Berk,<br>> <br>> I have taken the information from these posts and created a wiki page <br>> on the topic: <br>> http://wiki.gromacs.org/index.php/Removing_fastest_degrees_of_freedom<br>> <br>> However, I was unable to add a link to <br>> http://wiki.gromacs.org/index.php/Category:Beginners as the edit tab <br>> only allowed me to edit the top content of that page, and not the <br>> subcategories.<br>> <br>> If you have time to edit this new page then that would be great. Also, <br>> if anybody knows how to link it then that would also be great.<br>> <br>> Thanks,<br>> Chris.<br>> <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 />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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