[gmx-users] nsgrid.c problem

[Mahnam]

In God We Trust
Hello Dear gmx users

I made a topology and a gro file for a modified protein,when I run mdrun for energy minimization it says "

"Program mdrun, VERSION 3.3.1
Source code file: nsgrid.c, line: 226

Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.

Variable ci has value -2147483648. It should have been within [ 0 .. 1521 ]
Please report this to the mailing list (gmx-users@gromacs.org)"

 

I checked my topology and my gro files ,but it seems they are correct ,would you please  tell me what goes wrong.

Many thanks in advance for your help and your reply.
Sincerely yours
Karim Mahnam
Institute of  Biochemistry  and  Biophysics (IBB)
Tehran University
P.O.box 13145-1384
Tehran
Iran
http://www.ibb.ut.ac.ir/

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