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Hi,<br><br>My guess is that this is not the problem.<br>But it is very easy to try, so please do.<br>The diff for src/gmxlib/pbc.c is:<br>392c392,393<br>< try[d] == 0;<br>---<br>> try[d] = 0;<br>> pos[d] = 0;<br><br>Berk<br><br>> Date: Tue, 6 Jan 2009 18:37:20 +0100<br>> From: patrick.fuchs@univ-paris-diderot.fr<br>> To: gmx-users@gromacs.org<br>> Subject: Re: Subject: Re: Re: [gmx-users] Gromacs 4 bug?<br>> <br>> Hi,<br>> <br>> > I also fixed a problem with unitialized variables for pbc calculations <br>> > in trilinic boxes.<br>> > But up till now I have not observed any effect of this bug.<br>> > Is your box triclinic?<br>> Yes it is. So shall I test your corrected version ?<br>> <br>> Patrick<br>> <br><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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