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Hi,<br><br>This errors means that one of your box dimensions has shrunk by more than 20%<br>or a skewness change caused such an effects.<br>Normally you would have to lower the -dds option of mdrun.<br><br>But the skew_fac I determined from your box is 0.73, i.e. twice as high.<br>Therefore I guess you are using 4.0, which has a "bug".<br>In 4.0.2 skew_fac has been corrected.<br>Due to your "extreme" box shape, the effect of the bug isa factor of 2<br>(for normal rhombic dodehedra the effect is less than 20%<br>So switching to 4.0.2 will solve your problem and will also reduce <br>the communication load by a factor of 2.<br><br>Berk<br><br><hr id="stopSpelling">Date: Mon, 17 Nov 2008 18:58:59 +0000<br>From: lastexile7gr@yahoo.de<br>Subject: RE: [gmx-users] error: triclinic skew factor - number of DD cells<br>To: gmx-users@gromacs.org<br><br><table border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="font-family: inherit; font-style: inherit; font-variant: inherit; font-weight: inherit; font-size: inherit; line-height: inherit; font-size-adjust: inherit; font-stretch: inherit;" valign="top">Hello,<br><br>when I start the simulation my box vectors are the following :<br>16.89660 2.61581 2.07800 0.00000 0.00000 -0.43665 0.00000 0.00000 0.00000<br><br>and with the command (the final written step was at 40487):<br>trjconv -f traj.trr -dump 40487 -o out.gro<br><br>I got these box vectors:<br>22.35607 1.93762 2.21866 0.00000 0.00000 -1.78430 0.00000 0.11905 0.05522<br><br>Thank you,<br>Nikos<br><br></td></tr></tbody></table><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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