[gmx-users] energy-minimization error
dpinis1 at lsu.edu
Thu Sep 23 19:02:30 CEST 2004
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:
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.............
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