Hi, <br><br>I have LiCl solutions, SPCE and TIP4P2005 water models and OPLS. It worked for both models with one concentration, this one also works with SPCE, but using TIP4P2005 "stops writing" somehow. The program mdrun does not crash for a day even, seems to "run", but the .edr and .trr files are empty, the .log file stops <font size="2">at last</font><font size="1"><font size="2"> writing out step 0 or even earlier.<br>
</font></font>I tried what I found on the list as suggestions on such problems: the problem
of huge configuration (I have like 11000atoms) setting few steps and frequent output; using PME insetad of
Ewald and I checked the input files as carefully as I could, also (they are basically the same
ones used and run before - minimally modified, of course). I haven't found it in the
debug files either (maybe I was not checking the right ones?) I
tried grompp and mdrun also.<br>I hope somebody has some idea, where should I see the mistake.<br>Thank you for reading<br><br>Ildiko<br>