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Hi,<br><br>The molecule you want to insert should be a single charge group.<br>I guess you have miore than one charge group in the molecule.<br><br>I will add a check in the code for this, so you get a more<br>comprehensible error message.<br><br>Berk<br><br>> Date: Wed, 3 Dec 2008 12:34:23 +0100<br>> From: poblete@mpip-mainz.mpg.de<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] test molecule insertion<br>> <br>> Hi<br>> I have trouble inserting molecules for test particle insertion (with <br>> atoms there is no problem at all).<br>> I have defined my conf.gro, topology and index files, but it keeps <br>> saying that<br>> "Number of atoms in trajectory (7000) is not equal the number in the run <br>> input file (7005) minus the number of atoms to insert (1)"<br>> How can I define the number of atoms to insert?<br>> <br>> greets<br>> <br>> s.<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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