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Hi,<br><br>For the moment you can use editconf of 3.3<br>or copy a cryst1 entry (one of the first lines) from another pdb file<br>into you pdb input file, editconf will then write the correct box in the output pdb.<br><br>Berk<br><br><br>> Date: Fri, 7 Nov 2008 12:13:55 +0100<br>> From: caterina.arcangeli@casaccia.enea.it<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] editconf/genbox problem in Gromacs 4.0<br>> <br>> Many thanks to Bert and Xavier.<br>> <br>> >> Dear gmx-users,<br>> >><br>> >> I have encountered a similar editconf/genbox problem posted by Matt<br>> >> Danielson on 14 October:<br>> >> I 'm using Gromacs 4.0 (installed on MacOS).<br>> >><br>> >> 1. editconf -f my_protein.pdb -bt dodecahedron -d 0.9 -c -o<br>> >> may_protein_box.pdb<br>> ><br>> > use gro files for output and it works. The box size is not written<br>> > in the pdb file, although it used to be.<br>> >><br>> <br>> Yes, it works, but I'm using .pdb instead of .gro format to support<br>> chain identifiers since my system is composed by 3 protein chains.<br>> So I will wait for the new 4.0.1 release.<br>> <br>> Caterina<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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