prasun kumar wrote:
Dear Users
I am trying to do a simulation in lipid using DPPC12a.pdb.I have done
all the necessary changes rewuired.I am using FFGMX force field
while doing positional restarined step its giving following error:
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 .. 125 ]
But during energy minimization step I got a message that energy
minimization converges in 18 steps but dint reach the cuttoff value you
specified.
I am eager to know when a person gets this type of error
When your system is blowing up. A similar message just hit the list a day or so
ago (hint: check the archives when you get errors), and I provided some search
terms and advice there:
http://www.gromacs.org/pipermail/gmx-users/2008-September/036622.html
-Justin
Kindly help me
Waiting for your invaluable suggestions
--
PRASUN (ASHOKA)
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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