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<body class='hmmessage'><div style="text-align: left;">Hi,<br><br>We still need an elegant solution for this problem.<br>Currently the only option is to merge the two moleculetype definitions into one.<br>Or if you are also happy with an harmonic restraint, you can use the pull code.<br><br>Berk.<br></div><br><hr id="stopSpelling">> Date: Wed, 2 Apr 2008 15:53:19 +0200<br>> From: schlesi@uni-mainz.de<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] restraints or constraints over two molecules<br>> <br>> hi,<br>> i want to ask if there is a possibility to make distance restraints or<br>> contraints over two molecules?<br>> till now i have two .itp files (one for each molecule) and i include<br>> them with 'inculde "...itp" . after that i have [ system ] and [<br>> molecules ] (with my two molecules) and then [ distance_restraints ]<br>> respectively [ contraints ].<br>> <br>> but in both cases i get after grompp:<br>> [ file "info.top", line 14 ]:<br>> Atom index (6) in distance_restraints out of bounds (1-5).<br>> <br>> so i think the problem is that i have two molecules.<br>> but is there probably another way to get this work?!?<br>> <br>> thanks for an answer.<br>> thomas schlesier<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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