[gmx-users] mdrun error!

[Rahul Karyappa]

Dear all,

   Until now I have ran MD simulations successfully on my
stystems containing polymer and water. But when I added clay into the
system, I am not able to run the simulation.  When I start the
simulation, it runs for few steps and then it gives error "segmentation
fault". I have frrezed the clay group in all the directions and in it's
.itp file I have only included atomtypes.

What could be the cause? I have never received this kind of error in the past. Please help me out. Thanking tou in advance.


Rahul Karyappa

NCL, Pune




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