Hello Amber community,
I am trying to run constant pH MD with AMBER and if I have more than 12 titrateable residues in my cpin file I get the following error in the production run step:
"Error: an illegal memory access was encountered launching kernel kNLSkinTest"
Does someone has an idea how to solve this ? Thank you in advance!
Best,
Tu Hoang
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Received on Tue Jan 02 2024 - 00:30:02 PST
