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<DIV><FONT size=2><FONT face=宋体>Hello <SPAN
id=_FoxTONAME>gmx-users</SPAN>,</FONT></FONT></DIV>
<DIV> my system has 651 benzene
moleccules with density 811.502 g/l in a box 4 4 6(nm), during EM i came
to errors like:</DIV>
<DIV><FONT face=宋体 size=2>
-------------------------------------------------------<BR>Program mdrun,
VERSION 3.3<BR>Source code file: nsgrid.c, line: 226</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=宋体 size=2>Range checking error:<BR>Explanation: During
neighborsearching, we assign each particle to a grid<BR>based on its
coordinates. If your system contains collisions or parameter<BR>errors
that give particles very high velocities you might end up with
some<BR>coordinates being +-Infinity or NaN (not-a-number). Obviously, we
cannot<BR>put these on a grid, so this is usually where we detect those
errors.<BR>Make sure your system is properly energy-minimized and that the
potential<BR>energy seems reasonable before trying again.</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=宋体 size=2>Variable ci has value -2147483648. It should
have been within [ 0 .. 200 ]<BR>Please report this to the mailing list
(<A
href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A>)<BR>-------------------------------------------------------
i don't know why, if anybody knows please let me know.</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=宋体 size=2>Thanks!</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Best wishes!</FONT></DIV>
<DIV> </DIV>
<DIV>Sincerely,</DIV>
<DIV>
<DIV><FONT face=宋体>
<DIV><FONT size=2><FONT face=宋体>Rongliang Wu</FONT></FONT></DIV>
<DIV><FONT size=2><FONT face=宋体>State Key Laboratory<BR>of Polymer Physics
and Chemistry</FONT></FONT></DIV>
<DIV><FONT size=2>Center of Molecular Science</FONT></DIV>
<DIV><FONT size=2>Institute of Chemistry</FONT></DIV>
<DIV><FONT size=2>Chinese Academy of Sciences</FONT></DIV>
<DIV><FONT size=2><FONT face=宋体><A
href="mailto:wurl04@iccas.ac.cn">wurl04@iccas.ac.cn</A></FONT></FONT></DIV></FONT>
<DIV><FONT face=宋体>2005-11-19</FONT></DIV>
<DIV> </DIV></DIV></DIV></DIV></DIV></TD></TR>
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