Dear Amber Users,
My aMD calculation stopped after 95ns, with the following error
"*cudaMemcpy GpuBuffer::Download failed an illegal memory access was *
*encountered*"
My simulation system contains protein 300aa + Inhibitor + 4 zinc atoms.
I used cationic dummy atom approach to fix the zinc atoms.
while setting the threshold value for aMD, I have included all atoms
including zinc atoms.
for setting the dihedral threshold also I have counted zinc atoms as
residues since the dummy atom approach used.
Simulation stopped with this error. But there is no error description was
found in the log (.out) file.
Is the error is due to the zinc atoms?
How do I rectify this error?
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Received on Sun Nov 04 2018 - 23:30:02 PST
