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<DIV><BR>In God We Trust<BR>Hello Dear gmx users</DIV>
<DIV>I made a topology and a gro file for a modified protein,when I run mdrun
for energy minimization it says "</DIV>
<DIV>"Program mdrun, VERSION 3.3.1<BR>Source code file: nsgrid.c, line:
226</DIV>
<DIV>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.</DIV>
<DIV>Variable ci has value -2147483648. It should have been within [ 0 ..
1521 ]<BR>Please report this to the mailing list (<A
href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A>)"</DIV>
<DIV> </DIV>
<DIV>I checked my topology and my gro files ,but it seems they are correct
,would you please tell me what goes wrong.</DIV>
<DIV><BR>Many thanks in advance for your help and your reply.<BR>Sincerely
yours<BR>Karim Mahnam<BR>Institute of Biochemistry and
Biophysics (IBB)<BR>Tehran University <BR>P.O.box 13145-1384<BR>Tehran
<BR>Iran <BR>http://www.ibb.ut.ac.ir/<BR><BR></DIV>
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