[gmx-users] energy-minimization error

Dinesh Pinisetty dpinis1 at lsu.edu
Thu Sep 23 19:02:30 CEST 2004

Hello everyone,
       When I was doing Energy minimization over a system with dppc
bilayer(96 dppc molecules on each layer) and water on either side of the
monolayer.I was getting an error as follows:

Steepest Descent:
   Tolerance (Fmax)   =   1.00000e+01
   Number of steps    =      25,000
Fatal error:  ci=-2147483648 should be in  0..2159 [FILE nsgrid.c,  LINE

Can anyone guess where the mistake might be,can it be the mistake caused
due to the starting structure.
 Any suggestions would be greatly appreciated.............
Thanking you,

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