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Hi,<br><br>This is a bug which I fixed in 4.0.7 (but somehow it is missing from the revision list).<br><br>Berk<br><br>> Date: Tue, 12 Jan 2010 12:11:23 +0100<br>> From: pvanthof@xs4all.nl<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] Triggering generic kernel causes LINCS warnings<br>> <br>> Hello,<br>> <br>> I'm trying to simulate a water box with protein and drug. Having set up<br>> the simulation, starting mdrun causes no problems on its own. However,<br>> after setting the GMX_NB_GENERIC environment variable and restarting the<br>> simulation, it crashes at step 20 with too many LINCS warnings. Disabeling<br>> the environment variable makes mdrun run normal again.<br>> <br>> Where is this different behavior coming from and is this solvable?<br>> <br>> Using Gromacs 4.0.5. Attached the screen output and the log file.<br>> <br>> Thanks in advance,<br>> <br>> <br>> Pieter van 't Hof<br>> Graduate student Utrecht University<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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