[gmx-users] regarding zirconia

[pushyami atluri]

thanks for the reply.well even when i take t charges to be zero i get an xtc error .i checked and ther is enough disk space.the distance between atoms is .5095 nm and i got the buckingham potentials from literature.the simulation is runnin for very small time with these values but after certain time step shows xtc error.what can be the problem.thank you very much
 
       
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