[AMBER] Amber 16.12 and 12-6-4 force field Problem

From: Guanglin Kuang <guanglin.kth.se>
Date: Fri, 12 Jan 2018 02:49:22 +0000


Dear Amber Users,

I just updated Amber 16.05 and AmberTools 16.13 to the latest Amber 16.12 and AmberTools 17.08.

Now the 12-6-4 force field parameters for ions seem to be not supported in Amber 16.12, with the following error in the output file:

CUDA (GPU): Implementation does not support 12-6-4 LJ potential.
            The topology contains 12-6-4 coefficients and must be changed.

 Input errors occurred. Terminating execution.

Anyone encounter this problem and any solutions?

Thank you!
Best regards,

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Received on Thu Jan 11 2018 - 19:00:02 PST
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