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Chris,<br><br>
Everything looks OK.<br><br>
<blockquote type=cite class=cite cite><font size=1>constraints =
lincs<br>
lincs_order = 4</font></blockquote><br>
What sort of constraining are you doing? all-bonds?<br><br>
<blockquote type=cite class=cite cite><font size=1>coulombtype =
pme</font></blockquote><br>
As noted by another email, no need for this size there are currently no
charges in the box, only carbons. So wasting a lot of CPU time
doing something it doesn't need to.<br><br>
<blockquote type=cite class=cite cite><font size=1>tau_t = 0.1<br>
</font><font size=2>tc-grps = C8 </font><font size=1><br>
ref_t = 300 </font></blockquote><br>
What is your temperature doing? Energy? Since the density is
dropping like that, may be it is "freezing"?<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy<br>
Monash University<br>
381 Royal Parade<br>
Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9076</html>