Dear amber developers,
I have made two practically identical systems (protein + 2 ligands, alanine
mutant of protein + ligands). During the preparation of the first system, I
added 40 Na ions and 26 Cl ions, when I tried to add 40 Na ions and 28 Cl
ions in the second system (charge of the whole system in the first and
second cases were 0) I had an error: Program received signal SIGSEGV:
Segmentation fault - invalid memory reference. (sander run) or Error:
illegal memory access was encountered launching kernel
kClearForces(pmemd.cuda).
Could you help me and explain why this error had occurred?
Best wishes,
Evgenia Elizarova
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Received on Thu Jan 14 2021 - 08:30:03 PST
